Methyl 3-{2-[(4-chlorobenzyl)amino]-2-oxoethoxy}naphthalene-2-carboxylate
Basic information
- CAS
24727-45-5- Standard SMILES
COC(=O)c1cc2ccccc2cc1OCC(=O)NCc1ccc(Cl)cc1- InChIKey
CKNMWYYLAYLFET-UHFFFAOYSA-N- Molecular formula
- C21H18ClNO4
- Average molar mass
- 383.8 g/mol
- Monoisotopic mass
- 383.0924357
Names & identifiers
- Preferred name
- Methyl 3-{2-[(4-chlorobenzyl)amino]-2-oxoethoxy}naphthalene-2-carboxylate
- IUPAC
- methyl 3-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]naphthalene-2-carboxylate
Names & synonyms
24727-45-5methyl 3-{2-[(4-chlorobenzyl)amino]-2-oxoethoxy}naphthalene-2-carboxylateNSC160925DTXSID10303751NSC-160925Methyl 3-(2-{[(4-chlorophenyl)methyl]amino}-2-oxoethoxy)naphthalene-2-carboxylate
Database identifiers
- CAS
24727-45-5- PubChem CID
- 293786
- DTXSID
DTXSID10303751
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 506
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Compound notes
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