4-[2-(2-Chlorobenzoylamino)benzoylamino]butanoic acid
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Basic information
- Standard SMILES
O=C(O)CCCNC(=O)c1ccccc1NC(=O)c1ccccc1Cl- InChIKey
MDMCBCIVQBGJQE-UHFFFAOYSA-N- Molecular formula
- C18H17ClN2O4
- Average molar mass
- 360.8 g/mol
Names & identifiers
- Preferred name
- 4-[2-(2-Chlorobenzoylamino)benzoylamino]butanoic acid
- IUPAC
- 4-[[2-[(2-chlorobenzoyl)amino]benzoyl]amino]butanoic acid
Names & synonyms
SCHEMBL4954794MDMCBCIVQBGJQE-UHFFFAOYSA-N4-[2-(2-chlorobenzoylamino)benzoylamino]butanoic acid
Database identifiers
- PubChem CID
- 23118564
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 486
Related reactions
2 records
Compound notes
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