5-Chloro-2-[2-(naphthalen-1-ylmethylamino)-2-oxoethoxy]benzoic acid
Basic information
- CAS
24727-43-3- Standard SMILES
O=C(COc1ccc(Cl)cc1C(=O)O)NCc1cccc2ccccc12- InChIKey
LNFBIWFTBFJEOE-UHFFFAOYSA-N- Molecular formula
- C20H16ClNO4
- Average molar mass
- 369.8 g/mol
- Monoisotopic mass
- 369.0767857
Names & identifiers
- Preferred name
- 5-Chloro-2-[2-(naphthalen-1-ylmethylamino)-2-oxoethoxy]benzoic acid
- IUPAC
- 5-chloro-2-[2-(naphthalen-1-ylmethylamino)-2-oxoethoxy]benzoic acid
Names & synonyms
NSC21208024727-43-3DTXSID30309472NSC-2120805-Chloro-2-(2-{[(naphthalen-1-yl)methyl]amino}-2-oxoethoxy)benzoic acid
Database identifiers
- CAS
24727-43-3- PubChem CID
- 309692
- DTXSID
DTXSID30309472
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 500
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