[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate

C18H16ClNO6 — CID 2385431

IUPAC[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
SMILESCOC(=O)c1ccc(CNC(=O)COC(=O)c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C18H16ClNO6/c1-25-17(23)12-4-2-11(3-5-12)9-20-16(22)10-26-18(24)14-8-13(19)6-7-15(14)21/h2-8,21H,9-10H2,1H3,(H,20,22)
InChIKeyCDXHMCBZPCXKAH-UHFFFAOYSA-N
MW377.78 g/mol
LogP2.31
Rot. Bonds6

About [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate

[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate (PubChem CID 2385431) has the molecular formula C18H16ClNO6 and a molecular weight of 377.78 g/mol. Its IUPAC name is [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate.

Molecular Properties

Compound Name[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
PubChem CID2385431
Molecular FormulaC18H16ClNO6
Molecular Weight377.78 g/mol
Exact Mass377.07
IUPAC Name[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
SMILESCOC(=O)c1ccc(CNC(=O)COC(=O)c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C18H16ClNO6/c1-25-17(23)12-4-2-11(3-5-12)9-20-16(22)10-26-18(24)14-8-13(19)6-7-15(14)21/h2-8,21H,9-10H2,1H3,(H,20,22)
InChIKeyCDXHMCBZPCXKAH-UHFFFAOYSA-N
XLogP2.31
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.78
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate?
The IUPAC name of [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate (CID 2385431) is [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate.
What is the SMILES notation for [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate?
The canonical SMILES for [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate is COC(=O)c1ccc(CNC(=O)COC(=O)c2cc(Cl)ccc2O)cc1.
What is the InChIKey of [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate?
The InChIKey is CDXHMCBZPCXKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO6/c1-25-17(23)12-4-2-11(3-5-12)9-20-16(22)10-26-18(24)14-8-13(19)6-7-15(14)21/h2-8,21H,9-10H2,1H3,(H,20,22).
What are the key properties of [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate?
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate has a molecular weight of 377.78 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate is sourced from PubChem (CID 2385431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).