2-(3-chloro-4-methoxyphenyl)-N,N-diethyl-2-oxoacetamide

C13H16ClNO3 — CID 94279895

IUPAC2-(3-chloro-4-methoxyphenyl)-N,N-diethyl-2-oxoacetamide
SMILESCCN(CC)C(=O)C(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C13H16ClNO3/c1-4-15(5-2)13(17)12(16)9-6-7-11(18-3)10(14)8-9/h6-8H,4-5H2,1-3H3
InChIKeyPUAABXGFAFGRRH-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.40
Rot. Bonds5

About 2-(3-chloro-4-methoxyphenyl)-N,N-diethyl-2-oxoacetamide

2-(3-chloro-4-methoxyphenyl)-N,N-diethyl-2-oxoacetamide (PubChem CID 94279895) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-N,N-diethyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-N,N-diethyl-2-oxoacetamide
PubChem CID94279895
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name2-(3-chloro-4-methoxyphenyl)-N,N-diethyl-2-oxoacetamide
SMILESCCN(CC)C(=O)C(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C13H16ClNO3/c1-4-15(5-2)13(17)12(16)9-6-7-11(18-3)10(14)8-9/h6-8H,4-5H2,1-3H3
InChIKeyPUAABXGFAFGRRH-UHFFFAOYSA-N
XLogP2.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-(3-fluoro-4-methoxyphenyl)-2-oxoacetamide
CID 94270213
1-(3-chloro-4-methoxyphenyl)-2-methylidenebutan-1-one
CID 11629961
2-(4-chlorophenyl)-N,N-diethyl-2-oxoacetamide
CID 11310994
1-(3-chloro-4-methoxyphenyl)-3-methylpentan-1-one
CID 114873991
2-amino-1-(3-chloro-4-methoxyphenyl)ethanone
CID 79002249
2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-oxoacetamide
CID 94281483
1-(3-chloro-4-methoxyphenyl)-3-methylbutan-1-one
CID 43161730
1-(3-chloro-4-methoxyphenyl)heptan-1-one
CID 114752126
4-(3-chloro-4-methoxyphenyl)-2,4-dioxobutanoic acid
CID 10422570
1-(3-chloro-4-methoxyphenyl)-3-methylsulfanylpropan-1-one
CID 116830849
1-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)prop-2-yn-1-one
CID 116825445
2-[bis(2-hydroxyethyl)amino]-1-(3-chloro-4-methoxyphenyl)ethanone
CID 62051250

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-N,N-diethyl-2-oxoacetamide?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-N,N-diethyl-2-oxoacetamide (CID 94279895) is 2-(3-chloro-4-methoxyphenyl)-N,N-diethyl-2-oxoacetamide.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-N,N-diethyl-2-oxoacetamide?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-N,N-diethyl-2-oxoacetamide is CCN(CC)C(=O)C(=O)c1ccc(OC)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-N,N-diethyl-2-oxoacetamide?
The InChIKey is PUAABXGFAFGRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-4-15(5-2)13(17)12(16)9-6-7-11(18-3)10(14)8-9/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-N,N-diethyl-2-oxoacetamide?
2-(3-chloro-4-methoxyphenyl)-N,N-diethyl-2-oxoacetamide has a molecular weight of 269.73 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-N,N-diethyl-2-oxoacetamide is sourced from PubChem (CID 94279895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).