3-(4-Chlorophenyl)-N-(1-phenylpropyl)propanimidic acid

HCID 64882

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Basic information

CAS: 40478-42-0
Standard SMILES: CCC(NC(=O)CCc1ccc(Cl)cc1)c1ccccc1
InChIKey: MYWSPTIVGNYTAW-UHFFFAOYSA-N
Molecular formula: C18H20ClNO
Average molar mass: 301.8 g/mol
Monoisotopic mass: 301.123342

Names & identifiers

Preferred name: 3-(4-Chlorophenyl)-N-(1-phenylpropyl)propanimidic acid
IUPAC: 3-(4-chlorophenyl)-N-(1-phenylpropyl)propanamide

Names & synonyms

40478-42-0DTXSID209608593-(4-Chlorophenyl)-N-(1-phenylpropyl)propanimidic acidRefChem:1066833DTXCID501388701BRN 2994644p-Chloro-N-(alpha-ethylbenzyl)hydrocinnamamideBenzenepropanamide, 4-chloro-N-(1-phenylpropyl)-Hydrocinnamamide, p-chloro-N-(alpha-ethylbenzyl)-N-(alpha-Aethylbenzyl)-beta-4-chlorphenylpropionamid

Database identifiers

CAS: 40478-42-0
PubChem CID: 64882
DTXSID: DTXSID20960859

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 6
Heavy atoms: 21
Formal charge: 0
Complexity: 306

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