4-(2-chlorophenyl)-N-(cyclopentylmethyl)-4-oxobutanamide

C16H20ClNO2 — CID 110627614

IUPAC4-(2-chlorophenyl)-N-(cyclopentylmethyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccccc1Cl)NCC1CCCC1
InChIInChI=1S/C16H20ClNO2/c17-14-8-4-3-7-13(14)15(19)9-10-16(20)18-11-12-5-1-2-6-12/h3-4,7-8,12H,1-2,5-6,9-11H2,(H,18,20)
InChIKeyPLSWGPKZUSUOSH-UHFFFAOYSA-N
MW293.79 g/mol
LogP3.61
Rot. Bonds6

About 4-(2-chlorophenyl)-N-(cyclopentylmethyl)-4-oxobutanamide

4-(2-chlorophenyl)-N-(cyclopentylmethyl)-4-oxobutanamide (PubChem CID 110627614) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-(cyclopentylmethyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-(cyclopentylmethyl)-4-oxobutanamide
PubChem CID110627614
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name4-(2-chlorophenyl)-N-(cyclopentylmethyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccccc1Cl)NCC1CCCC1
InChIInChI=1S/C16H20ClNO2/c17-14-8-4-3-7-13(14)15(19)9-10-16(20)18-11-12-5-1-2-6-12/h3-4,7-8,12H,1-2,5-6,9-11H2,(H,18,20)
InChIKeyPLSWGPKZUSUOSH-UHFFFAOYSA-N
XLogP3.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopentylmethyl)-4-(2-fluorophenyl)-4-oxobutanamide
CID 110627612
1-(2-chlorophenyl)-2-cyclohexylethanone
CID 62622311
2,3-dichloro-N-(cyclohexylmethyl)benzamide
CID 23019884
1-(2-chlorophenyl)-2-(cyclopentylmethoxy)ethanone
CID 66322654
2-amino-3-chloro-N-(cyclopentylmethyl)benzamide
CID 115540050
2-[2-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]sulfanyl-N-(cyclohexylmethyl)acetamide
CID 55333923
4-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-4-oxobutanamide
CID 110620731
N-(cycloheptylmethyl)-2-phenylacetamide
CID 54313529
4-(2-chlorophenyl)-N-[2-(2-hydroxyphenyl)ethyl]-4-oxobutanamide
CID 110614901
2-amino-3-chloro-N-(cyclobutylmethyl)benzamide
CID 115540048
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(cyclohexylmethyl)acetamide
CID 9434473
2-(2-carbamothioylphenoxy)-N-(cyclopentylmethyl)acetamide
CID 43371246

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-(cyclopentylmethyl)-4-oxobutanamide?
The IUPAC name of 4-(2-chlorophenyl)-N-(cyclopentylmethyl)-4-oxobutanamide (CID 110627614) is 4-(2-chlorophenyl)-N-(cyclopentylmethyl)-4-oxobutanamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-(cyclopentylmethyl)-4-oxobutanamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-(cyclopentylmethyl)-4-oxobutanamide is O=C(CCC(=O)c1ccccc1Cl)NCC1CCCC1.
What is the InChIKey of 4-(2-chlorophenyl)-N-(cyclopentylmethyl)-4-oxobutanamide?
The InChIKey is PLSWGPKZUSUOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c17-14-8-4-3-7-13(14)15(19)9-10-16(20)18-11-12-5-1-2-6-12/h3-4,7-8,12H,1-2,5-6,9-11H2,(H,18,20).
What are the key properties of 4-(2-chlorophenyl)-N-(cyclopentylmethyl)-4-oxobutanamide?
4-(2-chlorophenyl)-N-(cyclopentylmethyl)-4-oxobutanamide has a molecular weight of 293.79 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-(cyclopentylmethyl)-4-oxobutanamide is sourced from PubChem (CID 110627614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).