4-(2-chloro-4-methylphenyl)-N-methyl-4-oxobutanamide

C12H14ClNO2 — CID 158414196

IUPAC4-(2-chloro-4-methylphenyl)-N-methyl-4-oxobutanamide
SMILESCNC(=O)CCC(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C12H14ClNO2/c1-8-3-4-9(10(13)7-8)11(15)5-6-12(16)14-2/h3-4,7H,5-6H2,1-2H3,(H,14,16)
InChIKeyGNJHGOZDSWOKBY-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.36
Rot. Bonds4

About 4-(2-chloro-4-methylphenyl)-N-methyl-4-oxobutanamide

4-(2-chloro-4-methylphenyl)-N-methyl-4-oxobutanamide (PubChem CID 158414196) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 4-(2-chloro-4-methylphenyl)-N-methyl-4-oxobutanamide.

Molecular Properties

Compound Name4-(2-chloro-4-methylphenyl)-N-methyl-4-oxobutanamide
PubChem CID158414196
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name4-(2-chloro-4-methylphenyl)-N-methyl-4-oxobutanamide
SMILESCNC(=O)CCC(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C12H14ClNO2/c1-8-3-4-9(10(13)7-8)11(15)5-6-12(16)14-2/h3-4,7H,5-6H2,1-2H3,(H,14,16)
InChIKeyGNJHGOZDSWOKBY-UHFFFAOYSA-N
XLogP2.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenyl)butan-1-one
CID 13175615
1-(2-chloro-4-methylphenyl)propan-1-one
CID 103689347
2-chloro-N,4-dimethylbenzamide;ethane
CID 143942674
1-(2-chloro-4-methylphenyl)-3-cyclopropylpropan-1-one
CID 106865007
1-(2-chloro-4-methylphenyl)-2-(4-methylphenyl)ethanone
CID 106861498
1-(2-chloro-4-methylphenyl)-3,3-dimethylbutan-1-one
CID 146009717
1-(2-chloro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 106864975
1-(2-chloro-4-methylphenyl)pent-3-yn-1-one
CID 106864833
1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 106865109
1-(2-chloro-4-methylphenyl)-2-(3-methylphenyl)ethanone
CID 106861502
N-methyl-4-oxo-4-(2,4,6-trimethylphenyl)butanamide
CID 82116197
1-(2-chloro-4-methylphenyl)-6-piperidin-1-ylhexan-1-one
CID 54134495

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methylphenyl)-N-methyl-4-oxobutanamide?
The IUPAC name of 4-(2-chloro-4-methylphenyl)-N-methyl-4-oxobutanamide (CID 158414196) is 4-(2-chloro-4-methylphenyl)-N-methyl-4-oxobutanamide.
What is the SMILES notation for 4-(2-chloro-4-methylphenyl)-N-methyl-4-oxobutanamide?
The canonical SMILES for 4-(2-chloro-4-methylphenyl)-N-methyl-4-oxobutanamide is CNC(=O)CCC(=O)c1ccc(C)cc1Cl.
What is the InChIKey of 4-(2-chloro-4-methylphenyl)-N-methyl-4-oxobutanamide?
The InChIKey is GNJHGOZDSWOKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-8-3-4-9(10(13)7-8)11(15)5-6-12(16)14-2/h3-4,7H,5-6H2,1-2H3,(H,14,16).
What are the key properties of 4-(2-chloro-4-methylphenyl)-N-methyl-4-oxobutanamide?
4-(2-chloro-4-methylphenyl)-N-methyl-4-oxobutanamide has a molecular weight of 239.70 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-methylphenyl)-N-methyl-4-oxobutanamide is sourced from PubChem (CID 158414196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).