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

C10H10ClNO2 — CID 82113368

IUPAC2-(4-chlorophenyl)-N,N-dimethyl-2-oxoacetamide
SMILESCN(C)C(=O)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNO2/c1-12(2)10(14)9(13)7-3-5-8(11)6-4-7/h3-6H,1-2H3
InChIKeyZYMFFNKMMFYJTI-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.61
Rot. Bonds2

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

2-(4-chlorophenyl)-N,N-dimethyl-2-oxoacetamide (PubChem CID 82113368) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N,N-dimethyl-2-oxoacetamide
PubChem CID82113368
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name2-(4-chlorophenyl)-N,N-dimethyl-2-oxoacetamide
SMILESCN(C)C(=O)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNO2/c1-12(2)10(14)9(13)7-3-5-8(11)6-4-7/h3-6H,1-2H3
InChIKeyZYMFFNKMMFYJTI-UHFFFAOYSA-N
XLogP1.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N,N-diethyl-2-oxoacetamide
CID 11310994
2-(4-chlorophenyl)-N-methyl-2-oxo-N-phenylacetamide
CID 13109495
2-(4-chlorophenyl)-2-oxoacetate
CID 18626556
2-chloro-1-(4-chlorophenyl)prop-2-en-1-one;methanol
CID 143536672
N-(2-chlorophenyl)-2-(4-chlorophenyl)-N-hydroxy-2-oxoacetamide
CID 10380658
(E)-4-(4-chlorophenyl)-N,N-dimethyl-4-oxobut-2-enamide
CID 13067056
dimethylamino 4-chlorobenzoate
CID 134848983
N-(4-chlorobenzoyl)-N-methylcarbamoyl chloride
CID 54256213
1-(4-chlorophenyl)-2-methylprop-2-en-1-one;N-methylmethanamine
CID 70493834
1-(4-chlorophenyl)-2-methoxyprop-2-en-1-one
CID 18981011
1-(4-chlorophenyl)-3,3-bis(methylsulfanyl)propane-1,2-dione
CID 14895408
3-(4-chlorobenzoyl)-4-(dimethylamino)but-3-enoic acid
CID 56609873

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N,N-dimethyl-2-oxoacetamide?
The IUPAC name of 2-(4-chlorophenyl)-N,N-dimethyl-2-oxoacetamide (CID 82113368) is 2-(4-chlorophenyl)-N,N-dimethyl-2-oxoacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N,N-dimethyl-2-oxoacetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N,N-dimethyl-2-oxoacetamide is CN(C)C(=O)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N,N-dimethyl-2-oxoacetamide?
The InChIKey is ZYMFFNKMMFYJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-12(2)10(14)9(13)7-3-5-8(11)6-4-7/h3-6H,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-N,N-dimethyl-2-oxoacetamide?
2-(4-chlorophenyl)-N,N-dimethyl-2-oxoacetamide has a molecular weight of 211.65 g/mol, XLogP of 1.61, 2 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-dimethyl-2-oxoacetamide is sourced from PubChem (CID 82113368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).