[2-(4-chloroanilino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate

C20H21ClN2O7 — CID 3623294

IUPAC[2-(4-chloroanilino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
SMILESCOc1cc(C(=O)NCC(=O)OCC(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC
InChIInChI=1S/C20H21ClN2O7/c1-27-15-8-12(9-16(28-2)19(15)29-3)20(26)22-10-18(25)30-11-17(24)23-14-6-4-13(21)5-7-14/h4-9H,10-11H2,1-3H3,(H,22,26)(H,23,24)
InChIKeyUPHTYVTYRITBOC-UHFFFAOYSA-N
MW436.85 g/mol
LogP2.28
Rot. Bonds9

About [2-(4-chloroanilino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate

[2-(4-chloroanilino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate (PubChem CID 3623294) has the molecular formula C20H21ClN2O7 and a molecular weight of 436.85 g/mol. Its IUPAC name is [2-(4-chloroanilino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(4-chloroanilino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
PubChem CID3623294
Molecular FormulaC20H21ClN2O7
Molecular Weight436.85 g/mol
Exact Mass436.10
IUPAC Name[2-(4-chloroanilino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
SMILESCOc1cc(C(=O)NCC(=O)OCC(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC
InChIInChI=1S/C20H21ClN2O7/c1-27-15-8-12(9-16(28-2)19(15)29-3)20(26)22-10-18(25)30-11-17(24)23-14-6-4-13(21)5-7-14/h4-9H,10-11H2,1-3H3,(H,22,26)(H,23,24)
InChIKeyUPHTYVTYRITBOC-UHFFFAOYSA-N
XLogP2.28
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.85
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-(4-chloroanilino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate with MolForge

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Related Compounds

[2-(3,5-dimethylanilino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 55320187
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
4-chloro-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]benzamide
CID 27258608
[2-(4-chloroanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 2665383
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-(4-chlorophenoxy)acetate
CID 35943053
[2-(4-iodoanilino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 2488185
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-[(4-chloro-3-nitrobenzoyl)amino]acetate
CID 29335268
[2-(4-chloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 2548549
(3,3-dimethyl-2-oxobutyl) 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 40589265
3,4,5-trimethoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 26682580
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 46789730
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 7899329

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloroanilino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate?
The IUPAC name of [2-(4-chloroanilino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate (CID 3623294) is [2-(4-chloroanilino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-(4-chloroanilino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-(4-chloroanilino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate is COc1cc(C(=O)NCC(=O)OCC(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC.
What is the InChIKey of [2-(4-chloroanilino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate?
The InChIKey is UPHTYVTYRITBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O7/c1-27-15-8-12(9-16(28-2)19(15)29-3)20(26)22-10-18(25)30-11-17(24)23-14-6-4-13(21)5-7-14/h4-9H,10-11H2,1-3H3,(H,22,26)(H,23,24).
What are the key properties of [2-(4-chloroanilino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate?
[2-(4-chloroanilino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate has a molecular weight of 436.85 g/mol, XLogP of 2.28, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloroanilino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate is sourced from PubChem (CID 3623294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).