2-[(4-chlorophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)acetamide

C16H22ClN3O2 — CID 9040584

IUPAC2-[(4-chlorophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)acetamide
SMILESCN(CC(=O)NC(=O)NC1CCCC1)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H22ClN3O2/c1-20(10-12-6-8-13(17)9-7-12)11-15(21)19-16(22)18-14-4-2-3-5-14/h6-9,14H,2-5,10-11H2,1H3,(H2,18,19,21,22)
InChIKeyXLIBBHLNXCVYKK-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.54
Rot. Bonds5

About 2-[(4-chlorophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)acetamide

2-[(4-chlorophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)acetamide (PubChem CID 9040584) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)acetamide
PubChem CID9040584
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name2-[(4-chlorophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)acetamide
SMILESCN(CC(=O)NC(=O)NC1CCCC1)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H22ClN3O2/c1-20(10-12-6-8-13(17)9-7-12)11-15(21)19-16(22)18-14-4-2-3-5-14/h6-9,14H,2-5,10-11H2,1H3,(H2,18,19,21,22)
InChIKeyXLIBBHLNXCVYKK-UHFFFAOYSA-N
XLogP2.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopentylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9251711
4-[[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9123296
2-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide
CID 60922338
2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
N-(5-chloro-2-methoxyphenyl)-2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
CID 8001433
N-cyclopentyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 27099197
2-[(4-chlorophenyl)methyl-methylamino]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11929339
N-(cyclopentylcarbamoyl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 55543794
N-(cyclohexylcarbamoyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide
CID 8583881
2-[(4-chlorophenyl)methyl-methylamino]-N-cyclopentylpropanamide
CID 17485820
2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78825177
2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 78787978

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)acetamide (CID 9040584) is 2-[(4-chlorophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)acetamide is CN(CC(=O)NC(=O)NC1CCCC1)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)acetamide?
The InChIKey is XLIBBHLNXCVYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-20(10-12-6-8-13(17)9-7-12)11-15(21)19-16(22)18-14-4-2-3-5-14/h6-9,14H,2-5,10-11H2,1H3,(H2,18,19,21,22).
What are the key properties of 2-[(4-chlorophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)acetamide?
2-[(4-chlorophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)acetamide has a molecular weight of 323.82 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)acetamide is sourced from PubChem (CID 9040584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).