Basic information
- CAS
307339-85-1- Standard SMILES
COC(=O)CCC(=O)Nc1cccc(C(=O)Nc2cccc(Cl)c2)c1- InChIKey
IAWRLXLPJXIVDL-UHFFFAOYSA-N- Molecular formula
- C18H17ClN2O4
- Average molar mass
- 360.8 g/mol
Names & identifiers
- Preferred name
- N-[3-(3-Chloro-phenylcarbamoyl)-phenyl]-succinamic acid methyl ester
- IUPAC
- methyl 4-[3-[(3-chlorophenyl)carbamoyl]anilino]-4-oxobutanoate
- English name
- methyl 4-({3-[(3-chlorophenyl)carbamoyl]phenyl}amino)-4-oxobutanoate
- Molecular formula
- C18H17ClN2O4
- Molecular weight
- 360.79
Names & synonyms
SMR000175564Oprea1_084902Oprea1_157053MLS000562662CHEMBL1332990HMS2338C11N-[3-(3-Chloro-phenylcarbamoyl)-phenyl]-succinamic acid methyl esterSTK064809ZINC00866236AKOS000485561ST040365EU-0069168
Show more names
methyl 4-[(3-{[(3-chlorophenyl)amino]carbonyl}phenyl)amino]-4-oxobutanoateButanoic acid, 4-[[3-[[(3-chlorophenyl)amino]carbonyl]phenyl]amino]-4-oxo-, methyl ester
SR-01000409406SR-01000409406-1Z57198924methyl 3-(N-{3-[N-(3-chlorophenyl)carbamoyl]phenyl}carbamoyl)propanoatemethyl 4-({3-[(3-chlorophenyl)carbamoyl]phenyl}amino)-4-oxobutanoate
Database identifiers
- CAS
307339-85-1- ChEMBL
CHEMBL1332990
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 486
Physicochemical properties
- Boiling point
- 506.3 · 506.3±45.0 °C(Predicted)
- Density
- 1.354 · 1.354±0.06 g/cm3(Predicted)
- pka
- 12.65 · 12.65±0.70(Predicted)
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…