Basic information
- CAS
40478-35-1- Standard SMILES
O=C(CCc1ccccc1Cl)NCc1ccccc1- InChIKey
SNFVVCKGEBGXRM-UHFFFAOYSA-N- Molecular formula
- C16H16ClNO
- Average molar mass
- 273.75 g/mol
- Monoisotopic mass
- 273.0920418
Names & identifiers
- Preferred name
- Hydrocinnamamide, N-benzyl-o-chloro-
- IUPAC
- N-benzyl-3-(2-chlorophenyl)propanamide
Names & synonyms
Hydrocinnamamide, N-benzyl-o-chloro-BRN 2983959N-Benzyl-o-chlorohydrocinnamamide40478-35-1Benzenepropanamide, 2-chloro-N-(phenylmethyl)-N-Benzyl-beta-2-chlorphenylpropionamid [German]N-Benzyl-beta-2-chlorphenylpropionamidDTXSID10193492RefChem:348291DTXCID20115983N-benzyl-3-(2-chlorophenyl)propanamideAKOS003526566
Database identifiers
- CAS
40478-35-1- PubChem CID
- 64877
- DTXSID
DTXSID10193492
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
- 276
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…