ethyl 2-(3-chloro-4-methoxyanilino)-2-oxoacetate

C11H12ClNO4 — CID 2273643

IUPACethyl 2-(3-chloro-4-methoxyanilino)-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C11H12ClNO4/c1-3-17-11(15)10(14)13-7-4-5-9(16-2)8(12)6-7/h4-6H,3H2,1-2H3,(H,13,14)
InChIKeyYFYDGMSHZQBOIM-UHFFFAOYSA-N
MW257.67 g/mol
LogP1.85
Rot. Bonds3

About ethyl 2-(3-chloro-4-methoxyanilino)-2-oxoacetate

ethyl 2-(3-chloro-4-methoxyanilino)-2-oxoacetate (PubChem CID 2273643) has the molecular formula C11H12ClNO4 and a molecular weight of 257.67 g/mol. Its IUPAC name is ethyl 2-(3-chloro-4-methoxyanilino)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(3-chloro-4-methoxyanilino)-2-oxoacetate
PubChem CID2273643
Molecular FormulaC11H12ClNO4
Molecular Weight257.67 g/mol
Exact Mass257.05
IUPAC Nameethyl 2-(3-chloro-4-methoxyanilino)-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C11H12ClNO4/c1-3-17-11(15)10(14)13-7-4-5-9(16-2)8(12)6-7/h4-6H,3H2,1-2H3,(H,13,14)
InChIKeyYFYDGMSHZQBOIM-UHFFFAOYSA-N
XLogP1.85
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

Acetamide, N-(3-chloro-4-methoxyphenyl)-
CID 23474
Carbamic acid, (3-chloro-4-methoxyphenyl)-, 1-methylethyl ester
CID 94705
N-(3-chloro-4-ethoxyphenyl)acetamide
CID 13799749
N-(3-chloro-4-methoxyphenyl)-2-phenoxyacetamide
CID 838230
5-(3-Chloro-4-methoxyanilino)-5-oxopentanoic acid
CID 2317183
[2-(5-Chloro-2-methoxyanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 2429777
(4-{[2-(2,4-Dichlorophenoxy)propanoyl]amino}phenoxy)acetic acid
CID 2950746
N-(3-chloro-4-methoxyphenyl)-3-methyl-2-butenamide
CID 731858
ethyl [N-(4-phenoxyphenyl)carbamoyl]formate
CID 3140849
N-[4-[5-(4-acetamido-2-chlorophenoxy)pentoxy]-3-chlorophenyl]acetamide
CID 44531032
Phenyl (3-chloro-4-methoxyphenyl)carbamate
CID 731707
N-(3-chloro-4-methoxyphenyl)-2-methoxyacetamide
CID 886049

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chloro-4-methoxyanilino)-2-oxoacetate?
The IUPAC name of ethyl 2-(3-chloro-4-methoxyanilino)-2-oxoacetate (CID 2273643) is ethyl 2-(3-chloro-4-methoxyanilino)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(3-chloro-4-methoxyanilino)-2-oxoacetate?
The canonical SMILES for ethyl 2-(3-chloro-4-methoxyanilino)-2-oxoacetate is CCOC(=O)C(=O)Nc1ccc(OC)c(Cl)c1.
What is the InChIKey of ethyl 2-(3-chloro-4-methoxyanilino)-2-oxoacetate?
The InChIKey is YFYDGMSHZQBOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO4/c1-3-17-11(15)10(14)13-7-4-5-9(16-2)8(12)6-7/h4-6H,3H2,1-2H3,(H,13,14).
What are the key properties of ethyl 2-(3-chloro-4-methoxyanilino)-2-oxoacetate?
ethyl 2-(3-chloro-4-methoxyanilino)-2-oxoacetate has a molecular weight of 257.67 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chloro-4-methoxyanilino)-2-oxoacetate is sourced from PubChem (CID 2273643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).