[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate

C20H21ClN2O6 — CID 7884459

IUPAC[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C20H21ClN2O6/c1-12-16(21)5-4-6-17(12)23-18(24)11-29-19(25)10-22-20(26)13-7-14(27-2)9-15(8-13)28-3/h4-9H,10-11H2,1-3H3,(H,22,26)(H,23,24)
InChIKeyGJHUMCDHLZYZKV-UHFFFAOYSA-N
MW420.85 g/mol
LogP2.58
Rot. Bonds8

About [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate

[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate (PubChem CID 7884459) has the molecular formula C20H21ClN2O6 and a molecular weight of 420.85 g/mol. Its IUPAC name is [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
PubChem CID7884459
Molecular FormulaC20H21ClN2O6
Molecular Weight420.85 g/mol
Exact Mass420.11
IUPAC Name[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C20H21ClN2O6/c1-12-16(21)5-4-6-17(12)23-18(24)11-29-19(25)10-22-20(26)13-7-14(27-2)9-15(8-13)28-3/h4-9H,10-11H2,1-3H3,(H,22,26)(H,23,24)
InChIKeyGJHUMCDHLZYZKV-UHFFFAOYSA-N
XLogP2.58
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.85
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate with MolForge

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Related Compounds

[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884053
N-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 112997742
N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide
CID 795808
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882697
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556272
[2-(2-carbamoylanilino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7899308
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 2373939
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 27238678
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 42963634
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881567
[2-(2-methyl-3-nitroanilino)-2-oxoethyl] 2-[(4-chloro-3-nitrobenzoyl)amino]acetate
CID 29335306
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882709

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The IUPAC name of [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate (CID 7884459) is [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate is COc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)Nc2cccc(Cl)c2C)c1.
What is the InChIKey of [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The InChIKey is GJHUMCDHLZYZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O6/c1-12-16(21)5-4-6-17(12)23-18(24)11-29-19(25)10-22-20(26)13-7-14(27-2)9-15(8-13)28-3/h4-9H,10-11H2,1-3H3,(H,22,26)(H,23,24).
What are the key properties of [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate?
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate has a molecular weight of 420.85 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate is sourced from PubChem (CID 7884459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).