Acetanilide, 3'-((2-bromoethylamino)methyl)-4'-ethoxy-

HCID 41826

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Basic information

CAS: 56266-61-6
Standard SMILES: CCOc1ccc(NC(C)=O)cc1CNCCBr
InChIKey: BTXJHIWXGPNCCB-UHFFFAOYSA-N
Molecular formula: C13H19BrN2O2
Average molar mass: 315.21 g/mol
Monoisotopic mass: 314.06299

Names & identifiers

Preferred name: Acetanilide, 3'-((2-bromoethylamino)methyl)-4'-ethoxy-
IUPAC: N-[3-[(2-bromoethylamino)methyl]-4-ethoxyphenyl]acetamide
English name: 3'-[(2-Bromoethylamino)methyl]-4'-ethoxyacetanilide
Molecular formula: C13H19BrN2O2
Molecular weight: 315.21

Names & synonyms

56266-61-6ACETANILIDE, 3'-((2-BROMOETHYLAMINO)METHYL)-4'-ETHOXY-3'-((2-Bromoethylamino)methyl)-4'-ethoxyacetanilideU7RJ7TB85Z3-(2-Bromoethyl)aminomethyl-4-ethoxy-acetamidobenzene3-N-(2-bromoethyl)aminomethyl-4-ethoxy-acetamidobenzeneAcetamide, N-(3-(((2-bromoethyl)amino)methyl)-4-ethoxyphenyl)-UNII-U7RJ7TB85ZDTXSID60204820N-(3-{[(2-BROMOETHYL)AMINO]METHYL}-4-ETHOXYPHENYL)ACETAMIDEDB-3149303'-[(2-Bromoethylamino)methyl ]-4'-ethoxyacetanilide

Show more names

3'-[(2-Bromoethylamino)methyl]-4'-ethoxyacetanilideAcetamide, N-[3-[[(2-bromoethyl)amino]methyl]-4-ethoxyphenyl]-

Database identifiers

CAS: 56266-61-6
PubChem CID: 41826
DTXSID: DTXSID60204820

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 50.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 18
Formal charge: 0
Complexity: 251

Physicochemical properties

FDA UNII: 7 RJ7TB85Z · U7RJ7TB85Z

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