2-(4-chlorophenyl)-N-cyclopentyl-3-methylbutanamide

C16H22ClNO — CID 60631278

IUPAC2-(4-chlorophenyl)-N-cyclopentyl-3-methylbutanamide
SMILESCC(C)C(C(=O)NC1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClNO/c1-11(2)15(12-7-9-13(17)10-8-12)16(19)18-14-5-3-4-6-14/h7-11,14-15H,3-6H2,1-2H3,(H,18,19)
InChIKeyDDLUSQTYVVSQDY-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.14
Rot. Bonds4

About 2-(4-chlorophenyl)-N-cyclopentyl-3-methylbutanamide

2-(4-chlorophenyl)-N-cyclopentyl-3-methylbutanamide (PubChem CID 60631278) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-cyclopentyl-3-methylbutanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-cyclopentyl-3-methylbutanamide
PubChem CID60631278
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name2-(4-chlorophenyl)-N-cyclopentyl-3-methylbutanamide
SMILESCC(C)C(C(=O)NC1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClNO/c1-11(2)15(12-7-9-13(17)10-8-12)16(19)18-14-5-3-4-6-14/h7-11,14-15H,3-6H2,1-2H3,(H,18,19)
InChIKeyDDLUSQTYVVSQDY-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-methylbutanamide
CID 43388740
N-cyclopentyl-2-(4-fluorophenyl)-3-methylbutanamide
CID 110316813
N-cyclopentyl-2-(4-methoxyphenyl)-3-methylbutanamide
CID 110316904
[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-dimethylazanium
CID 4206046
2-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)-3-methylbutanamide
CID 114550401
[(1R)-1-(4-chlorophenyl)ethyl]-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]azanium
CID 8635750
benzyl-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-methylazanium
CID 4198096
(2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-(4-methylpiperidin-1-yl)acetamide
CID 94778986
2-(4-chlorophenyl)-N-cyclopentyl-2-pyrrolidin-1-ium-1-ylacetamide
CID 4173138
2-(4-chlorophenyl)-N-cyclohexyl-2-(diethylamino)acetamide
CID 3668552
2-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbutanamide
CID 63294733
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 81354478

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-cyclopentyl-3-methylbutanamide?
The IUPAC name of 2-(4-chlorophenyl)-N-cyclopentyl-3-methylbutanamide (CID 60631278) is 2-(4-chlorophenyl)-N-cyclopentyl-3-methylbutanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-cyclopentyl-3-methylbutanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-cyclopentyl-3-methylbutanamide is CC(C)C(C(=O)NC1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-cyclopentyl-3-methylbutanamide?
The InChIKey is DDLUSQTYVVSQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-11(2)15(12-7-9-13(17)10-8-12)16(19)18-14-5-3-4-6-14/h7-11,14-15H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-chlorophenyl)-N-cyclopentyl-3-methylbutanamide?
2-(4-chlorophenyl)-N-cyclopentyl-3-methylbutanamide has a molecular weight of 279.81 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-cyclopentyl-3-methylbutanamide is sourced from PubChem (CID 60631278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).