[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate

C25H22ClNO7 — CID 31409809

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
SMILESCOc1ccc(C(=O)COC(=O)c2cc(OC)c(OC)cc2NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C25H22ClNO7/c1-31-16-10-8-15(9-11-16)21(28)14-34-25(30)18-12-22(32-2)23(33-3)13-20(18)27-24(29)17-6-4-5-7-19(17)26/h4-13H,14H2,1-3H3,(H,27,29)
InChIKeyNEMGITIRTXHLKR-UHFFFAOYSA-N
MW483.90 g/mol
LogP4.66
Rot. Bonds9

About [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate

[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate (PubChem CID 31409809) has the molecular formula C25H22ClNO7 and a molecular weight of 483.90 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
PubChem CID31409809
Molecular FormulaC25H22ClNO7
Molecular Weight483.90 g/mol
Exact Mass483.11
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
SMILESCOc1ccc(C(=O)COC(=O)c2cc(OC)c(OC)cc2NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C25H22ClNO7/c1-31-16-10-8-15(9-11-16)21(28)14-34-25(30)18-12-22(32-2)23(33-3)13-20(18)27-24(29)17-6-4-5-7-19(17)26/h4-13H,14H2,1-3H3,(H,27,29)
InChIKeyNEMGITIRTXHLKR-UHFFFAOYSA-N
XLogP4.66
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.90
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate with MolForge

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Related Compounds

[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 42986912
(2-benzamido-2-oxoethyl) 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 42445765
[2-(2-ethylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 42445888
[2-(dibenzylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 4844887
[2-(N-ethylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 42445917
2-(4-cyanophenoxy)ethyl 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 42445805
[2-(4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7376931
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 42980409
[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 16534409
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chlorobenzoate
CID 2096696
(4-oxo-4-thiophen-2-ylbutyl) 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 42990147

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate (CID 31409809) is [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate is COc1ccc(C(=O)COC(=O)c2cc(OC)c(OC)cc2NC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate?
The InChIKey is NEMGITIRTXHLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClNO7/c1-31-16-10-8-15(9-11-16)21(28)14-34-25(30)18-12-22(32-2)23(33-3)13-20(18)27-24(29)17-6-4-5-7-19(17)26/h4-13H,14H2,1-3H3,(H,27,29).
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate?
[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate has a molecular weight of 483.90 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate is sourced from PubChem (CID 31409809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).