2- (4-Bromophenyl) -N-propylacetamide

CAT: 0127-OR1065880-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1065880-01Size:100 mg

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CAS Number

223555-91-7

MDL Number

MFCD02577190

Purity

98%

Smiles

O=C(NCCC)CC1=CC=C(Br)C=C1

Chemical Information

2-(4-bromophenyl)-N-propylacetamide

CAS Number	223555-91-7
PubChem CID	1728624
IUPAC Name	2-(4-bromophenyl)-N-propylacetamide
Molecular Formula	C11H14BrNO
Molecular Weight	256.14
XLogP	2.7
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	176

SMILES

CCCNC(=O)CC1=CC=C(C=C1)Br

InChI

InChI=1S/C11H14BrNO/c1-2-7-13-11(14)8-9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3,(H,13,14)

InChIKey

BBRANRFCRMUHTD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 223555-91-7

CID: 1728624

Formula: C11H14BrNO

MW: 256.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	256.14
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	255.02588
Monoisotopic Mass	255.02588
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	176
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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Catalog	Name
sc-298117	2- (4-Piperidinyloxy) -N-propylacetamide
sc-342048A	2-chloro-N- (4-methylbenzyl) -N-propylacetamide
EKB31926-01	2-Chloro-N-[ (4-methylphenyl) methyl]-N-propylacetamide
sc-339797	2- (4-aminopiperidin-1-yl) -N-propylacetamide
UQB10837-01	2- (2-Aminothiazol-4-yl) -N-propylacetamide
FH HL 0064-01	N- (4-bromophenyl) -N,4-dimethylbenzenesulfonamide
GDD36815	N- (4-Bromophenyl) -N-phenylacrylamide
TRC-B103845-500MG	N-(4-Bromophenyl)-N'-methoxyurea
GXA06814-01	N- (4-Bromophenyl) aminosulfonamide
457181-01	N- (4-Bromophenyl) methacrylamide