N1- (2,4-difluorophenyl) -6-chlorohexanamide

CAT: 0127-PC31551Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-PC31551Size:1 Each

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CAS Number

647824-80-4

MDL Number

MFCD00120691

Purity

=95%

Smiles

Fc1ccc(NC(=O)CCCCCCl)c(F)c1

Chemical Information

N1-(2,4-difluorophenyl)-6-chlorohexanamide

CAS Number	647824-80-4
PubChem CID	2780142
IUPAC Name	6-chloro-N-(2,4-difluorophenyl)hexanamide
Molecular Formula	C12H14ClF2NO
Molecular Weight	261.69
XLogP	3
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	17
Formal Charge	0
Complexity	241

SMILES

C1=CC(=C(C=C1F)F)NC(=O)CCCCCCl

InChI

InChI=1S/C12H14ClF2NO/c13-7-3-1-2-4-12(17)16-11-6-5-9(14)8-10(11)15/h5-6,8H,1-4,7H2,(H,16,17)

InChIKey

SNIYTLAVFUXTBF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 647824-80-4

CID: 2780142

Formula: C12H14ClF2NO

MW: 261.69

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	261.69
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	261.0731981
Monoisotopic Mass	261.0731981
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	241
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
OR23852	N1- (3-nitrophenyl) -6-chlorohexanamide
PC31563	N1- (3-chloro-4-fluorophenyl) -6-chlorohexanamide
PC31501	N1- (4-bromo-2,6-difluorophenyl) -2-chloroacetamide
OR23843	N1- (5-methylisoxazol-3-yl) -6-chlorohexanamide
PC31468	N1- (2,6-difluorophenyl) -2-chloroacetamide
PC31552	N1-[3,5-di (trifluoromethyl) phenyl]-6-chlorohexanamide
PC31533	N1- (2,4-difluorophenyl) -3-bromopropanamide
PC49207	4- (4-Amino-2,6-difluorophenyl) piperazine, N1-BOC protected
PC31502	N1- (4-bromo-2,6-difluorophenyl) -2,3,3-trichloroacrylamide
PC31992	N1- (2,6-difluorophenyl) -2-bromo-2-phenylacetamide

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