2-(4-chlorophenyl)-N,N-diethyl-2-oxoacetamide

C12H14ClNO2 — CID 11310994

IUPAC2-(4-chlorophenyl)-N,N-diethyl-2-oxoacetamide
SMILESCCN(CC)C(=O)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO2/c1-3-14(4-2)12(16)11(15)9-5-7-10(13)8-6-9/h5-8H,3-4H2,1-2H3
InChIKeyRRGJZZPRMWBRBS-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.39
Rot. Bonds4

About 2-(4-chlorophenyl)-N,N-diethyl-2-oxoacetamide

2-(4-chlorophenyl)-N,N-diethyl-2-oxoacetamide (PubChem CID 11310994) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N,N-diethyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N,N-diethyl-2-oxoacetamide
PubChem CID11310994
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name2-(4-chlorophenyl)-N,N-diethyl-2-oxoacetamide
SMILESCCN(CC)C(=O)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO2/c1-3-14(4-2)12(16)11(15)9-5-7-10(13)8-6-9/h5-8H,3-4H2,1-2H3
InChIKeyRRGJZZPRMWBRBS-UHFFFAOYSA-N
XLogP2.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenyl)-N,N-diethyl-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-2-(4-methoxyphenyl)-2-oxoacetamide
CID 12768666
2-(4-chlorophenyl)-N,N-dimethyl-2-oxoacetamide
CID 82113368
2-(3-chloro-4-methoxyphenyl)-N,N-diethyl-2-oxoacetamide
CID 94279895
4-chloro-N-ethyl-N-octylbenzamide
CID 91716392
2-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-oxoacetamide
CID 82118310
2-(4-chlorophenyl)-N-methyl-2-oxo-N-phenylacetamide
CID 13109495
4-chloro-N-[2-[(4-chlorobenzoyl)-ethylamino]ethyl]benzamide
CID 4570417
4-chlorobenzoic acid;2-(diethylamino)ethanol;hydrochloride
CID 21150232
1-(4-chlorophenyl)-3-(diethylamino)prop-2-yn-1-one
CID 134922740
1-(4-chlorophenyl)-2-(diethylamino)-2-methylpropan-1-one
CID 79054221
2-chloro-2-(4-chlorophenyl)-N,N-diethylacetamide
CID 62225355
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N,N-diethyl-2-oxoacetamide
CID 5302284

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N,N-diethyl-2-oxoacetamide?
The IUPAC name of 2-(4-chlorophenyl)-N,N-diethyl-2-oxoacetamide (CID 11310994) is 2-(4-chlorophenyl)-N,N-diethyl-2-oxoacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N,N-diethyl-2-oxoacetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N,N-diethyl-2-oxoacetamide is CCN(CC)C(=O)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N,N-diethyl-2-oxoacetamide?
The InChIKey is RRGJZZPRMWBRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-3-14(4-2)12(16)11(15)9-5-7-10(13)8-6-9/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-N,N-diethyl-2-oxoacetamide?
2-(4-chlorophenyl)-N,N-diethyl-2-oxoacetamide has a molecular weight of 239.70 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N,N-diethyl-2-oxoacetamide is sourced from PubChem (CID 11310994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).