2-[2-[(4-Aminophenyl)methylamino]-2-oxoethoxy]-5-chlorobenzoic acid
Basic information
- CAS
21447-09-6- Standard SMILES
Nc1ccc(CNC(=O)COc2ccc(Cl)cc2C(=O)O)cc1- InChIKey
LPABCXCMCRLRMY-UHFFFAOYSA-N- Molecular formula
- C16H15ClN2O4
- Average molar mass
- 334.75 g/mol
- Monoisotopic mass
- 334.0720347
Names & identifiers
- Preferred name
- 2-[2-[(4-Aminophenyl)methylamino]-2-oxoethoxy]-5-chlorobenzoic acid
- IUPAC
- 2-[2-[(4-aminophenyl)methylamino]-2-oxoethoxy]-5-chlorobenzoic acid
Names & synonyms
21447-09-6NSC2113462-[2-[(4-aminophenyl)methylamino]-2-oxoethoxy]-5-chlorobenzoic acidDTXSID70309214NSC-2113462-(2-{[(4-Aminophenyl)methyl]amino}-2-oxoethoxy)-5-chlorobenzoic acid
Database identifiers
- CAS
21447-09-6- PubChem CID
- 309170
- DTXSID
DTXSID70309214
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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