3-[acetyl(cyclopentyl)amino]-N-(3-chloro-4-methylphenyl)propanamide

C17H23ClN2O2 — CID 113116428

IUPAC3-[acetyl(cyclopentyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C)c(Cl)c1)C1CCCC1
InChIInChI=1S/C17H23ClN2O2/c1-12-7-8-14(11-16(12)18)19-17(22)9-10-20(13(2)21)15-5-3-4-6-15/h7-8,11,15H,3-6,9-10H2,1-2H3,(H,19,22)
InChIKeyOWKQLAHRYLGRNK-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.77
Rot. Bonds5

About 3-[acetyl(cyclopentyl)amino]-N-(3-chloro-4-methylphenyl)propanamide

3-[acetyl(cyclopentyl)amino]-N-(3-chloro-4-methylphenyl)propanamide (PubChem CID 113116428) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 3-[acetyl(cyclopentyl)amino]-N-(3-chloro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(cyclopentyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
PubChem CID113116428
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name3-[acetyl(cyclopentyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C)c(Cl)c1)C1CCCC1
InChIInChI=1S/C17H23ClN2O2/c1-12-7-8-14(11-16(12)18)19-17(22)9-10-20(13(2)21)15-5-3-4-6-15/h7-8,11,15H,3-6,9-10H2,1-2H3,(H,19,22)
InChIKeyOWKQLAHRYLGRNK-UHFFFAOYSA-N
XLogP3.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113115435
2-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113158419
3-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)propanamide
CID 113116671
3-[acetyl(cycloheptyl)amino]-N-(3-methylphenyl)propanamide
CID 113122702
3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 113116612
3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethylphenyl)propanamide
CID 113116404
3-[acetyl(cycloheptyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113122776
N-(3-chloro-4-methylphenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide
CID 102677060
N-(4-acetamidophenyl)-3-[acetyl(cyclopropyl)amino]propanamide
CID 113115459
3-[acetyl(cycloheptyl)amino]-N-(3-acetylphenyl)propanamide
CID 113122753
N'-(3-chloro-4-methylphenyl)-N-cycloheptylpropanediamide
CID 108951589
3-[acetyl(cyclopropyl)amino]-N-(5-chloro-2-methylphenyl)propanamide
CID 113115433

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(cyclopentyl)amino]-N-(3-chloro-4-methylphenyl)propanamide?
The IUPAC name of 3-[acetyl(cyclopentyl)amino]-N-(3-chloro-4-methylphenyl)propanamide (CID 113116428) is 3-[acetyl(cyclopentyl)amino]-N-(3-chloro-4-methylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(cyclopentyl)amino]-N-(3-chloro-4-methylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(cyclopentyl)amino]-N-(3-chloro-4-methylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(C)c(Cl)c1)C1CCCC1.
What is the InChIKey of 3-[acetyl(cyclopentyl)amino]-N-(3-chloro-4-methylphenyl)propanamide?
The InChIKey is OWKQLAHRYLGRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-12-7-8-14(11-16(12)18)19-17(22)9-10-20(13(2)21)15-5-3-4-6-15/h7-8,11,15H,3-6,9-10H2,1-2H3,(H,19,22).
What are the key properties of 3-[acetyl(cyclopentyl)amino]-N-(3-chloro-4-methylphenyl)propanamide?
3-[acetyl(cyclopentyl)amino]-N-(3-chloro-4-methylphenyl)propanamide has a molecular weight of 322.84 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(cyclopentyl)amino]-N-(3-chloro-4-methylphenyl)propanamide is sourced from PubChem (CID 113116428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).