[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate

C24H21ClN2O6 — CID 2367160

IUPAC[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
SMILESCOc1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1Cl
InChIInChI=1S/C24H21ClN2O6/c1-31-21-12-9-17(13-20(21)25)27-22(28)15-32-23(29)14-26-24(30)16-7-10-19(11-8-16)33-18-5-3-2-4-6-18/h2-13H,14-15H2,1H3,(H,26,30)(H,27,28)
InChIKeyJNKWHNNKJZTWIJ-UHFFFAOYSA-N
MW468.89 g/mol
LogP4.05
Rot. Bonds9

About [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate

[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate (PubChem CID 2367160) has the molecular formula C24H21ClN2O6 and a molecular weight of 468.89 g/mol. Its IUPAC name is [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
PubChem CID2367160
Molecular FormulaC24H21ClN2O6
Molecular Weight468.89 g/mol
Exact Mass468.11
IUPAC Name[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
SMILESCOc1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1Cl
InChIInChI=1S/C24H21ClN2O6/c1-31-21-12-9-17(13-20(21)25)27-22(28)15-32-23(29)14-26-24(30)16-7-10-19(11-8-16)33-18-5-3-2-4-6-18/h2-13H,14-15H2,1H3,(H,26,30)(H,27,28)
InChIKeyJNKWHNNKJZTWIJ-UHFFFAOYSA-N
XLogP4.05
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.89
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate with MolForge

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Related Compounds

[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 46789730
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523988
4-(2-anilino-2-oxoethoxy)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 1191645
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-[(4-chloro-3-nitrobenzoyl)amino]acetate
CID 29310803
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-4-ethoxybenzamide
CID 8014586
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 9345710
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 3273541
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 28565443
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788729
methyl 4-[[2-(2-benzamidoacetyl)oxyacetyl]amino]benzoate
CID 7783383
N-benzyl-4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54843765
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 2355966

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The IUPAC name of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate (CID 2367160) is [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The canonical SMILES for [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate is COc1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1Cl.
What is the InChIKey of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The InChIKey is JNKWHNNKJZTWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O6/c1-31-21-12-9-17(13-20(21)25)27-22(28)15-32-23(29)14-26-24(30)16-7-10-19(11-8-16)33-18-5-3-2-4-6-18/h2-13H,14-15H2,1H3,(H,26,30)(H,27,28).
What are the key properties of [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate has a molecular weight of 468.89 g/mol, XLogP of 4.05, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate is sourced from PubChem (CID 2367160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).