N-[2-(bromomethyl)-3-chlorophenyl]benzamide

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Basic information

CAS: 42313-44-0
Standard SMILES: O=C(Nc1cccc(Cl)c1CBr)c1ccccc1
InChIKey: BMSGZRZPBBFGEB-UHFFFAOYSA-N
Molecular formula: C14H11BrClNO
Average molar mass: 324.6 g/mol
Monoisotopic mass: 322.97125

Names & identifiers

Preferred name: N-[2-(bromomethyl)-3-chlorophenyl]benzamide
IUPAC: N-[2-(bromomethyl)-3-chlorophenyl]benzamide
English name: N-[2-(bromomethyl)-3-chlorophenyl]benzamide
Molecular formula: C14H11BrClNO
Molecular weight: 324.6

Names & synonyms

N-[2-(bromomethyl)-3-chlorophenyl]benzamide42313-44-0YC29C5VVB3EINECS 255-756-6N-(2-(Bromomethyl)-3-chlorophenyl)benzamideDTXSID70195134Benzamide, N-(2-(bromomethyl)-3-chlorophenyl)-RefChem:161605DTXCID80117625255-756-6UNII-YC29C5VVB3BMSGZRZPBBFGEB-UHFFFAOYSA-N

Show more names

Benzamide, N-[2-(bromomethyl)-3-chlorophenyl]-

NS00031152

Database identifiers

CAS: 42313-44-0
PubChem CID: 3016345
DTXSID: DTXSID70195134
UNII: YC29C5VVB3
EC Number: 255-756-6
Nikkaji: J278.381I

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 281

Physicochemical properties

FDA UNII: 29 C5VVB3 · YC29C5VVB3

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Compound notes

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