2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-oxoacetamide

C12H14ClNO4 — CID 94281483

IUPAC2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-oxoacetamide
SMILESCOCCNC(=O)C(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C12H14ClNO4/c1-17-6-5-14-12(16)11(15)8-3-4-10(18-2)9(13)7-8/h3-4,7H,5-6H2,1-2H3,(H,14,16)
InChIKeyTZUSZVJHQTZANN-UHFFFAOYSA-N
MW271.70 g/mol
LogP1.29
Rot. Bonds6

About 2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-oxoacetamide

2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-oxoacetamide (PubChem CID 94281483) has the molecular formula C12H14ClNO4 and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-oxoacetamide
PubChem CID94281483
Molecular FormulaC12H14ClNO4
Molecular Weight271.70 g/mol
Exact Mass271.06
IUPAC Name2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-oxoacetamide
SMILESCOCCNC(=O)C(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C12H14ClNO4/c1-17-6-5-14-12(16)11(15)8-3-4-10(18-2)9(13)7-8/h3-4,7H,5-6H2,1-2H3,(H,14,16)
InChIKeyTZUSZVJHQTZANN-UHFFFAOYSA-N
XLogP1.29
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)acetamide
CID 110767026
N-(2-methoxyethyl)-2-oxo-2-(4-propan-2-ylphenyl)acetamide
CID 94268074
2-(3,4-dimethoxyphenyl)-2-oxo-N-propylacetamide
CID 94269258
3-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)propanamide
CID 109015076
3-chloro-4-methoxy-N-(2-phenylmethoxyethyl)benzamide
CID 100552706
1-(3-chloro-4-methoxyphenyl)-2-methylidenebutan-1-one
CID 11629961
2-(3-chloro-4-methoxyphenyl)-N,N-diethyl-2-oxoacetamide
CID 94279895
3-amino-4-methoxy-N-(2-methoxyethyl)benzamide
CID 16772972
3-chloro-4-methoxy-N-[2-(4-propylphenoxy)ethyl]benzamide
CID 100563948
1-(3-chloro-4-methoxyphenyl)-2-[cyclopropyl(2-methoxyethyl)amino]ethanone
CID 61452098
4-N-(5-chloro-2-methoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045180
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2250640

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-oxoacetamide?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-oxoacetamide (CID 94281483) is 2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-oxoacetamide.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-oxoacetamide?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-oxoacetamide is COCCNC(=O)C(=O)c1ccc(OC)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-oxoacetamide?
The InChIKey is TZUSZVJHQTZANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4/c1-17-6-5-14-12(16)11(15)8-3-4-10(18-2)9(13)7-8/h3-4,7H,5-6H2,1-2H3,(H,14,16).
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-oxoacetamide?
2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-oxoacetamide has a molecular weight of 271.70 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-oxoacetamide is sourced from PubChem (CID 94281483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).