2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]acetamide

C12H15ClN2O2 — CID 62052939

IUPAC2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]acetamide
SMILESCC(C(=O)c1ccc(Cl)cc1)N(C)CC(N)=O
InChIInChI=1S/C12H15ClN2O2/c1-8(15(2)7-11(14)16)12(17)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3,(H2,14,16)
InChIKeyCLMBCHQPDMJPMY-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.33
Rot. Bonds5

About 2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]acetamide

2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]acetamide (PubChem CID 62052939) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]acetamide.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]acetamide
PubChem CID62052939
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]acetamide
SMILESCC(C(=O)c1ccc(Cl)cc1)N(C)CC(N)=O
InChIInChI=1S/C12H15ClN2O2/c1-8(15(2)7-11(14)16)12(17)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3,(H2,14,16)
InChIKeyCLMBCHQPDMJPMY-UHFFFAOYSA-N
XLogP1.33
TPSA63.40 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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide
CID 62037462
1-(4-chlorophenyl)-2-[methyl(pentyl)amino]propan-1-one
CID 43796020
2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 62051390
2-[methyl-[1-(4-methylphenyl)-1-oxopropan-2-yl]amino]acetic acid
CID 82476146
1-(4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propan-1-one
CID 63964851
N-(2-amino-4-chlorophenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
CID 43373834
1-(4-chlorophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one
CID 63838727
4-amino-1-(4-chlorophenyl)-2-methylbutan-1-one
CID 116594848
2-[(2-amino-2-oxoethyl)-(1-oxo-1-phenylpropan-2-yl)amino]acetamide
CID 62921694
2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 43794816
N-[4-[2-[2-(4-chlorophenoxy)ethyl-methylamino]propanoyl]phenyl]acetamide
CID 42911596
2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide
CID 62031823

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]acetamide?
The IUPAC name of 2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]acetamide (CID 62052939) is 2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]acetamide.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]acetamide?
The canonical SMILES for 2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]acetamide is CC(C(=O)c1ccc(Cl)cc1)N(C)CC(N)=O.
What is the InChIKey of 2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]acetamide?
The InChIKey is CLMBCHQPDMJPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-8(15(2)7-11(14)16)12(17)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3,(H2,14,16).
What are the key properties of 2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]acetamide?
2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]acetamide has a molecular weight of 254.72 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]acetamide is sourced from PubChem (CID 62052939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).