Basic information
- CAS
40478-37-3- Standard SMILES
O=C(CCc1ccc(Cl)cc1)NCc1ccccc1- InChIKey
XQPWJBKUZCRBKK-UHFFFAOYSA-N- Molecular formula
- C16H16ClNO
- Average molar mass
- 273.75 g/mol
- Monoisotopic mass
- 273.0920418
Names & identifiers
- Preferred name
- N-Benzyl-3-(4-chlorophenyl)propanimidic acid
- IUPAC
- N-benzyl-3-(4-chlorophenyl)propanamide
Names & synonyms
40478-37-3DTXSID40960856N-Benzyl-3-(4-chlorophenyl)propanimidic acidRefChem:1091585DTXCID301388698N-Benzyl-p-chlorohydrocinnamamideBRN 2983768Hydrocinnamamide, N-benzyl-p-chloro-Benzenepropanamide, 4-chloro-N-(phenylmethyl)-N-Benzyl-beta-4-chlorphenylpropionamid [German]N-Benzyl-beta-4-chlorphenylpropionamidAKOS003020605
Database identifiers
- CAS
40478-37-3- PubChem CID
- 64879
- DTXSID
DTXSID40960856- Nikkaji
- J3.198.479C
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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