Basic information
- Standard SMILES
O=C(O)/C=C/c1ccc(CNc2cccc(Cl)c2)cc1- InChIKey
JRDYMAKRIGEZIV-CMDGGOBGSA-N- Molecular formula
- C16H14ClNO2
- Average molar mass
- 287.74 g/mol
- Monoisotopic mass
- 287.0713064
Names & identifiers
- Preferred name
- (E)-3-(4-((3-Chlorophenylamino)methyl)phenyl)acrylic acid
- IUPAC
- (E)-3-[4-[(3-chloroanilino)methyl]phenyl]prop-2-enoic acid
Names & synonyms
SCHEMBL1068652JRDYMAKRIGEZIV-CMDGGOBGSA-N(E)-3-(4-((3-Chlorophenylamino)methyl)phenyl)acrylic acid
Database identifiers
- PubChem CID
- 59736746
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 337
Related reactions
1 records
Compound notes
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