[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 4-chloro-2-hydroxybenzoate

C17H15Cl2NO6 — CID 42235707

IUPAC[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 4-chloro-2-hydroxybenzoate
SMILESCOc1cc(NC(=O)COC(=O)c2ccc(Cl)cc2O)c(OC)cc1Cl
InChIInChI=1S/C17H15Cl2NO6/c1-24-14-7-12(15(25-2)6-11(14)19)20-16(22)8-26-17(23)10-4-3-9(18)5-13(10)21/h3-7,21H,8H2,1-2H3,(H,20,22)
InChIKeyGBQCCRMKZBAAPR-UHFFFAOYSA-N
MW400.21 g/mol
LogP3.51
Rot. Bonds6

About [2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 4-chloro-2-hydroxybenzoate

[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 4-chloro-2-hydroxybenzoate (PubChem CID 42235707) has the molecular formula C17H15Cl2NO6 and a molecular weight of 400.21 g/mol. Its IUPAC name is [2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 4-chloro-2-hydroxybenzoate.

Molecular Properties

Compound Name[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 4-chloro-2-hydroxybenzoate
PubChem CID42235707
Molecular FormulaC17H15Cl2NO6
Molecular Weight400.21 g/mol
Exact Mass399.03
IUPAC Name[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 4-chloro-2-hydroxybenzoate
SMILESCOc1cc(NC(=O)COC(=O)c2ccc(Cl)cc2O)c(OC)cc1Cl
InChIInChI=1S/C17H15Cl2NO6/c1-24-14-7-12(15(25-2)6-11(14)19)20-16(22)8-26-17(23)10-4-3-9(18)5-13(10)21/h3-7,21H,8H2,1-2H3,(H,20,22)
InChIKeyGBQCCRMKZBAAPR-UHFFFAOYSA-N
XLogP3.51
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.21
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 3-hydroxy-4-methylbenzoate
CID 42089866
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-acetamido-4,5-dimethoxybenzoate
CID 41279847
[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 4-chloro-2-hydroxybenzoate
CID 9342618
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-chloro-5-fluorobenzoate
CID 71823508
[2-(2,5-dichloroanilino)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 2505004
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-bromobenzoate
CID 2624069
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870700
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2645350
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870731
[2-(2-methoxyanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8629592
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(4-chloro-2-methylphenyl)propanediamide
CID 108955228
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate
CID 7500066

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 4-chloro-2-hydroxybenzoate?
The IUPAC name of [2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 4-chloro-2-hydroxybenzoate (CID 42235707) is [2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 4-chloro-2-hydroxybenzoate.
What is the SMILES notation for [2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 4-chloro-2-hydroxybenzoate?
The canonical SMILES for [2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 4-chloro-2-hydroxybenzoate is COc1cc(NC(=O)COC(=O)c2ccc(Cl)cc2O)c(OC)cc1Cl.
What is the InChIKey of [2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 4-chloro-2-hydroxybenzoate?
The InChIKey is GBQCCRMKZBAAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO6/c1-24-14-7-12(15(25-2)6-11(14)19)20-16(22)8-26-17(23)10-4-3-9(18)5-13(10)21/h3-7,21H,8H2,1-2H3,(H,20,22).
What are the key properties of [2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 4-chloro-2-hydroxybenzoate?
[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 4-chloro-2-hydroxybenzoate has a molecular weight of 400.21 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 4-chloro-2-hydroxybenzoate is sourced from PubChem (CID 42235707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).