2-[[2-(4-chlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide

C12H15ClN2O2 — CID 62051003

IUPAC2-[[2-(4-chlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)CC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O2/c1-14-12(17)8-15(2)7-11(16)9-3-5-10(13)6-4-9/h3-6H,7-8H2,1-2H3,(H,14,17)
InChIKeyCGARGWAHTXQSEZ-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.20
Rot. Bonds5

About 2-[[2-(4-chlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide

2-[[2-(4-chlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide (PubChem CID 62051003) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
PubChem CID62051003
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-[[2-(4-chlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)CC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O2/c1-14-12(17)8-15(2)7-11(16)9-3-5-10(13)6-4-9/h3-6H,7-8H2,1-2H3,(H,14,17)
InChIKeyCGARGWAHTXQSEZ-UHFFFAOYSA-N
XLogP1.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3,4-dichlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 62050806
2-[[2-(4-chlorophenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 62035213
2-[[2-(4-methoxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60681059
2-[[2-(2,5-dichlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60680843
2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60702318
2-[[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60680971
N-methyl-2-[methyl-[2-(3-methylphenyl)-2-oxoethyl]amino]acetamide
CID 62051984
2-[[2-(2,5-difluorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60680875
N-(4-acetylphenyl)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9167165
2-[[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60680952
N-methyl-2-[methyl-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]amino]acetamide
CID 60680858
N-(4-chlorophenyl)-2-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 78825949

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[2-(4-chlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide (CID 62051003) is 2-[[2-(4-chlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[2-(4-chlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide is CNC(=O)CN(C)CC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide?
The InChIKey is CGARGWAHTXQSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-14-12(17)8-15(2)7-11(16)9-3-5-10(13)6-4-9/h3-6H,7-8H2,1-2H3,(H,14,17).
What are the key properties of 2-[[2-(4-chlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide?
2-[[2-(4-chlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide has a molecular weight of 254.72 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide is sourced from PubChem (CID 62051003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).