Basic information
- CAS
116557-36-9- Standard SMILES
O=C(O)/C=C/c1cccc(NC(=O)c2ccccc2)c1- InChIKey
JFXQFZAMJHVJLJ-MDZDMXLPSA-N- Molecular formula
- C16H13NO3
- Average molar mass
- 267.28 g/mol
- Monoisotopic mass
- 267.08954328
Names & identifiers
- Preferred name
- (2E)-3-[3-(benzoylamino)phenyl]acrylic acid
- IUPAC
- (E)-3-(3-benzamidophenyl)prop-2-enoic acid
Names & synonyms
(2E)-3-[3-(benzoylamino)phenyl]acrylic acid116557-36-93-[3-(Benzoylamino)phenyl]acrylic acid(E)-3-(3-benzamidophenyl)prop-2-enoic acidMLS000777265CHEMBL1417083SCHEMBL13381249DTXSID401329681HMS1412C10HMS2755P21STK698506AKOS000805776
Show more names
(E)-3-(3-benzamidophenyl)acrylic acidIDI1_008273SMR000413660ST50775732(E)-3-(3-Benzoylamino-phenyl)-acrylic acidSR-01000199034SR-01000199034-1(2E)-3-(3-BENZAMIDOPHENYL)PROP-2-ENOIC ACID
Database identifiers
- CAS
116557-36-9- PubChem CID
- 5400567
- DTXSID
DTXSID401329681- ChEMBL
CHEMBL1417083
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 372
Experimental & physicochemical properties
Solubility34 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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