4-[(4-Benzoylphenyl)amino]-4-oxobutanoic acid
Basic information
- CAS
306325-08-6- Standard SMILES
O=C(O)CCC(=O)Nc1ccc(C(=O)c2ccccc2)cc1- InChIKey
VUMNTRNMHOFCKA-UHFFFAOYSA-N- Molecular formula
- C17H15NO4
- Average molar mass
- 297.3 g/mol
- Monoisotopic mass
- 297.10010796
Names & identifiers
- Preferred name
- 4-[(4-Benzoylphenyl)amino]-4-oxobutanoic acid
- IUPAC
- 4-(4-benzoylanilino)-4-oxobutanoic acid
- English name
- 4-[(4-BENZOYLPHENYL)AMINO]-4-OXOBUTANOIC ACID
- Molecular formula
- C17H15NO4
- Molecular weight
- 297.31
Names & synonyms
4-[(4-BENZOYLPHENYL)AMINO]-4-OXOBUTANOIC ACID306325-08-64-(4-benzoylanilino)-4-oxobutanoic acid4-((4-benzoylphenyl)amino)-4-oxobutanoic acidOprea1_031535Oprea1_236102SCHEMBL14533437STK068232AKOS000483851ST040789CS-0318150AK-968/10003064
Show more names
N-(4-BENZOYL-PHENYL)-SUCCINAMIC ACIDButanoic acid, 4-[(4-benzoylphenyl)amino]-4-oxo-
3-{N-[4-(phenylcarbonyl)phenyl]carbamoyl}propanoic acid4-oxo-4-{[4-(phenylcarbonyl)phenyl]amino}butanoic acidF3146-4770
Database identifiers
- CAS
306325-08-6- PubChem CID
- 721924
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 407
Physicochemical properties
- Boiling point
- 583.7 · 583.7±35.0 °C(Predicted)
- Density
- 1.302 · 1.302±0.06 g/cm3(Predicted)
- pka
- 4.58 · 4.58±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
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Related reactions
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Compound notes
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