Diazepam Impurity 1

CAT: 1596-AR-D05963-02Size: 150Dry Ice: NoHazardous: No

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CAT#:1596-AR-D05963-02Size:150

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CAS Number

36020-94-7

Synonyms

2-Amino-N- (2-benzoyl-4-chlorophenyl) -N-methylacetamide

Molecular Formula

C16H15ClN2O2

Molecular Weight

302.76

API Name

Diazepam

Chemical Information

N-(2-Benzoyl-4-chlorophenyl)-N-methylglycinamide

CAS Number	36020-94-7
PubChem CID	12746775
IUPAC Name	2-amino-N-(2-benzoyl-4-chlorophenyl)-N-methylacetamide
Molecular Formula	C16H15ClN2O2
Molecular Weight	302.75
XLogP	2.3
Topological Polar Surface Area	63.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	382

SMILES

CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)C(=O)CN

InChI

InChI=1S/C16H15ClN2O2/c1-19(15(20)10-18)14-8-7-12(17)9-13(14)16(21)11-5-3-2-4-6-11/h2-9H,10,18H2,1H3

InChIKey

HQJSGBKPXYZTRN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 36020-94-7

CID: 12746775

Formula: C16H15ClN2O2

MW: 302.75

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	302.75
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	302.0822054
Monoisotopic Mass	302.0822054
Topological Polar Surface Area	63.4 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	382
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