4-(4-chlorophenyl)-2-{[2-(1H-indol-3-yl)ethyl]amino}-4-oxobutanoic acid
Basic information
- CAS
255731-19-2- Standard SMILES
O=C(CC(NCCc1c[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1- InChIKey
KMAQRALRIVBLLL-UHFFFAOYSA-N- Molecular formula
- C20H19ClN2O3
- Average molar mass
- 370.8 g/mol
- Monoisotopic mass
- 370.1084202
Names & identifiers
- Preferred name
- 4-(4-chlorophenyl)-2-{[2-(1H-indol-3-yl)ethyl]amino}-4-oxobutanoic acid
- IUPAC
- 4-(4-chlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoic acid
Names & synonyms
ST019204SCHEMBL2348621CHEMBL2235649AKOS005105985JS-13164-(4-chlorophenyl)-2-[(2-indol-3-ylethyl)amino]-4-oxobutanoic acid4-(4-chlorophenyl)-2-{[2-(1H-indol-3-yl)ethyl]amino}-4-oxobutanoic acid4-(4-CHLORO-PHENYL)-2-(2-(1H-INDOL-3-YL)-ETHYLAMINO)-4-OXO-BUTYRIC ACID
Database identifiers
- CAS
255731-19-2- PubChem CID
- 3945625
- ChEMBL
CHEMBL2235649- EC Number
- 153-110-7
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 493
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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