N1- (3,5-dichlorophenyl) -2-bromoacetamide

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CAS Number

57339-11-4

MDL Number

MFCD00173816

Smiles

Clc1cc (Cl) cc (NC (=O) CBr) c1

Chemical Information

2-bromo-N-(3,5-dichlorophenyl)acetamide

CAS Number	57339-11-4
PubChem CID	3414715
IUPAC Name	2-bromo-N-(3,5-dichlorophenyl)acetamide
Molecular Formula	C8H6BrCl2NO
Molecular Weight	282.95
XLogP	4
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	181

SMILES

C1=C(C=C(C=C1Cl)Cl)NC(=O)CBr

InChI

InChI=1S/C8H6BrCl2NO/c9-4-8(13)12-7-2-5(10)1-6(11)3-7/h1-3H,4H2,(H,12,13)

InChIKey

PNEDZNUPEOAKGR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 57339-11-4

CID: 3414715

Formula: C8H6BrCl2NO

MW: 282.95

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	282.95
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	280.90098
Monoisotopic Mass	280.90098
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	181
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
OR21274	N1- (3,5-dichlorophenyl) -2-mercaptoacetamide
PC31220	N1- (5-fluoro-1,3-benzothiazol-2-yl) -2-bromoacetamide
OR28537	N1- (2,5-dichlorophenyl) -2-hydroxyiminoacetamide
OR27025-01	N1- (2,3-Dichlorophenyl) -2-chloroacetamide
OR29969	N1- (3,4-Dichlorophenyl) -2-chloroacetamide
OR30280	N1-[2- (acetylamino) -4,5-dichlorophenyl]acetamide
PC32469	N1-[2-chloro-4- (trifluoromethyl) phenyl]-2-bromoacetamide
OR21322	N1- (4-methoxy-1,3-benzothiazol-2-yl) -2-bromoacetamide
OR28894	N1- (2,4-dichlorophenyl) benzamide
OR28565	N1- (2,4-dichlorophenyl) -2-hydroxyiminoacetamide

Catalog	Name
IKB50309-01	N- (3-Acetylphenyl) -2-bromoacetamide
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TCA57536	2- (3,5-Dichlorophenyl) propene
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JEA34695-01	2- (3,5-Dichlorophenyl) acetaldehyde
JCA84371-01	3- (2,5-Dichlorophenyl) pyrazole
413517-01	2- (3,5-Dichlorophenyl) acetonitrile
FD53091	2- (3,5-Dichlorophenyl) Pyrrolidine
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