2- (3,4-Dichlorophenoxy) -N-methylbutanamide

CAT: 0926-DXC59969-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-DXC59969-01Size:250 mg

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CAS Number

1803599-69-0

MDL Number

MFCD27980893

Smiles

CCC (C (=O) NC) OC1=CC (=C (C=C1) Cl) Cl

Molecular Formula

C11H13Cl2NO2

Molecular Weight

262.13 g/mol

Controlled

Chemical Information

2-(3,4-dichlorophenoxy)-N-methylbutanamide

CAS Number	1803599-69-0
PubChem CID	75525591
IUPAC Name	2-(3,4-dichlorophenoxy)-N-methylbutanamide
Molecular Formula	C11H13Cl2NO2
Molecular Weight	262.13
XLogP	3.4
Topological Polar Surface Area	38.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	16
Formal Charge	0
Complexity	238

SMILES

CCC(C(=O)NC)OC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C11H13Cl2NO2/c1-3-10(11(15)14-2)16-7-4-5-8(12)9(13)6-7/h4-6,10H,3H2,1-2H3,(H,14,15)

InChIKey

CWZMYVACWFQQKV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1803599-69-0

CID: 75525591

Formula: C11H13Cl2NO2

MW: 262.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	262.13
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	261.0323340
Monoisotopic Mass	261.0323340
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	238
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
QXA17158-01	N-[4- (2-Chloroacetyl) phenyl]-3-methylbutanamide
PHA57650	N- (4-Aminophenyl) -3-methylbutanamide
YPC91251-01	2- (3,4-Dichlorophenoxy) -N-methylpropanamide
QCA56095-01	4-Chloro-N-methylbutanamide
LZB25473-01	2-Amino-N-cyclohexyl-3-methylbutanamide
DUB22585-01	2-Amino-N-cyclopentyl-3-methylbutanamide
RQB78037-01	2-Bromo-N-cyclooctyl-3-methylbutanamide
YTB36168-01	2-Bromo-N-cycloheptyl-3-methylbutanamide
RJA47872-01	2-Bromo-N-cyclohexyl-3-methylbutanamide
UFC04058-01	4,4,4-Trifluoro-N-methylbutanamide

Catalog	Name
sc-329939	N- (4-Aminophenyl) -3-methylbutanamide
sc-349341	4-chloro-N-methylbutanamide
432708-01	4-Hydroxy-N-methylbutanamide
OR1060750-01	N- ((4-Bromophenyl) sulfonyl) -3-methylbutanamide
OR1054004-01	4-Amino-N-methylbutanamide
sc-330957	N-[4- (Hydrazinocarbonyl) phenyl]-3-methylbutanamide
sc-341551	2-bromo-N- (4-fluorophenyl) -3-methylbutanamide
sc-341552A	2-bromo-N- (4-methoxyphenyl) -3-methylbutanamide
sc-349178	4-amino-N-methylbutanamide hydrochloride
sc-305274A	2- (3,4-Dichlorophenoxy) -N'-hydroxyethanimidamide