2-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]acetamide

C12H15ClN2O3 — CID 62052942

IUPAC2-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]acetamide
SMILESCOc1ccc(C(=O)CN(C)CC(N)=O)cc1Cl
InChIInChI=1S/C12H15ClN2O3/c1-15(7-12(14)17)6-10(16)8-3-4-11(18-2)9(13)5-8/h3-5H,6-7H2,1-2H3,(H2,14,17)
InChIKeyPNOSDLQDPYDNJZ-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.95
Rot. Bonds6

About 2-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]acetamide

2-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]acetamide (PubChem CID 62052942) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound Name2-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]acetamide
PubChem CID62052942
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name2-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]acetamide
SMILESCOc1ccc(C(=O)CN(C)CC(N)=O)cc1Cl
InChIInChI=1S/C12H15ClN2O3/c1-15(7-12(14)17)6-10(16)8-3-4-11(18-2)9(13)5-8/h3-5H,6-7H2,1-2H3,(H2,14,17)
InChIKeyPNOSDLQDPYDNJZ-UHFFFAOYSA-N
XLogP0.95
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]ethanone
CID 62860808
2-amino-1-(3-chloro-4-methoxyphenyl)ethanone
CID 79002249
3-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
CID 106916621
2-[bis(2-hydroxyethyl)amino]-1-(3-chloro-4-methoxyphenyl)ethanone
CID 62051250
1-(3-chloro-4-methoxyphenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 61432505
3-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]butanenitrile
CID 63223438
1-(3-chloro-4-methoxyphenyl)-3-methylbutan-1-one
CID 43161730
1-(3-chloro-4-methoxyphenyl)-3-methylsulfanylpropan-1-one
CID 116830849
4-(3-chloro-4-methoxyphenyl)-2,4-dioxobutanoic acid
CID 10422570
1-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)prop-2-yn-1-one
CID 116825445
N'-[amino(methyl)amino]-3-chloro-4-methoxybenzenecarboximidamide
CID 143625648
4-O-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7488857

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of 2-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]acetamide (CID 62052942) is 2-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for 2-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for 2-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]acetamide is COc1ccc(C(=O)CN(C)CC(N)=O)cc1Cl.
What is the InChIKey of 2-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is PNOSDLQDPYDNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-15(7-12(14)17)6-10(16)8-3-4-11(18-2)9(13)5-8/h3-5H,6-7H2,1-2H3,(H2,14,17).
What are the key properties of 2-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]acetamide?
2-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 270.72 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 62052942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).