2-(2-chlorophenyl)-N-methyl-2-oxoacetamide

C9H8ClNO2 — CID 140990273

IUPAC2-(2-chlorophenyl)-N-methyl-2-oxoacetamide
SMILESCNC(=O)C(=O)c1ccccc1Cl
InChIInChI=1S/C9H8ClNO2/c1-11-9(13)8(12)6-4-2-3-5-7(6)10/h2-5H,1H3,(H,11,13)
InChIKeyILSOASAZRHHYNP-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.27
Rot. Bonds2

About 2-(2-chlorophenyl)-N-methyl-2-oxoacetamide

2-(2-chlorophenyl)-N-methyl-2-oxoacetamide (PubChem CID 140990273) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-methyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-methyl-2-oxoacetamide
PubChem CID140990273
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name2-(2-chlorophenyl)-N-methyl-2-oxoacetamide
SMILESCNC(=O)C(=O)c1ccccc1Cl
InChIInChI=1S/C9H8ClNO2/c1-11-9(13)8(12)6-4-2-3-5-7(6)10/h2-5H,1H3,(H,11,13)
InChIKeyILSOASAZRHHYNP-UHFFFAOYSA-N
XLogP1.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenyl)-2-oxo-N-phenylacetamide
CID 123578791
1-(2-chlorophenyl)ethanone;hydrochloride
CID 174743581
2-bromo-3-chloro-N-methylbenzamide
CID 69377341
2-chloro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135688203
1-(2-chlorophenyl)-2-[4-(dimethylamino)phenyl]ethane-1,2-dione
CID 12619979
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
(2-chlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65299171
ethyl 2-[2-(2-chlorophenyl)-2-oxoacetyl]benzoate
CID 102105830
1,2-bis(2-chlorophenyl)ethane-1,2-dione;1-(2,3-dichlorophenyl)-2-phenylethane-1,2-dione
CID 69255292
methyl (Z)-2-(2-chlorobenzoyl)-3-phenylprop-2-enoate
CID 101398974
3-(2-chlorophenyl)-3-oxopropanoyl chloride
CID 175437558
1-(2-chlorophenyl)-2-hydroxypropan-1-one
CID 11830112

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-methyl-2-oxoacetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-methyl-2-oxoacetamide (CID 140990273) is 2-(2-chlorophenyl)-N-methyl-2-oxoacetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-methyl-2-oxoacetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-methyl-2-oxoacetamide is CNC(=O)C(=O)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-methyl-2-oxoacetamide?
The InChIKey is ILSOASAZRHHYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c1-11-9(13)8(12)6-4-2-3-5-7(6)10/h2-5H,1H3,(H,11,13).
What are the key properties of 2-(2-chlorophenyl)-N-methyl-2-oxoacetamide?
2-(2-chlorophenyl)-N-methyl-2-oxoacetamide has a molecular weight of 197.62 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-methyl-2-oxoacetamide is sourced from PubChem (CID 140990273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).