1-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)cyclopropane-1-carboxamide

C17H22ClNO — CID 115881748

IUPAC1-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)cyclopropane-1-carboxamide
SMILESCC1(C)CCC(NC(=O)C2(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C17H22ClNO/c1-16(2)8-7-14(11-16)19-15(20)17(9-10-17)12-3-5-13(18)6-4-12/h3-6,14H,7-11H2,1-2H3,(H,19,20)
InChIKeyGPHLWIVPMSKCLE-UHFFFAOYSA-N
MW291.82 g/mol
LogP4.07
Rot. Bonds3

About 1-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)cyclopropane-1-carboxamide (PubChem CID 115881748) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)cyclopropane-1-carboxamide
PubChem CID115881748
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name1-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)cyclopropane-1-carboxamide
SMILESCC1(C)CCC(NC(=O)C2(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C17H22ClNO/c1-16(2)8-7-14(11-16)19-15(20)17(9-10-17)12-3-5-13(18)6-4-12/h3-6,14H,7-11H2,1-2H3,(H,19,20)
InChIKeyGPHLWIVPMSKCLE-UHFFFAOYSA-N
XLogP4.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-(3,3-dimethylcyclopentyl)benzamide
CID 91506548
1-(4-chlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119450721
1-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)cyclopentane-1-carboxamide
CID 78767408
2-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)-3-methylbutanamide
CID 114550401
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-chlorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119455788
1-(4-chlorophenyl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide
CID 28849709
1-(4-chlorophenyl)-N-(2-oxooxolan-3-yl)cyclopropane-1-carboxamide
CID 73033106
benzene;1-(4-chlorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide
CID 143174173
N-cyclopentyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 110485718
4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79192813
2-chloro-N-(3,3-dimethylcyclopentyl)-4,5-difluorobenzamide
CID 115880901
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 42047243

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)cyclopropane-1-carboxamide (CID 115881748) is 1-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)cyclopropane-1-carboxamide is CC1(C)CCC(NC(=O)C2(c3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)cyclopropane-1-carboxamide?
The InChIKey is GPHLWIVPMSKCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO/c1-16(2)8-7-14(11-16)19-15(20)17(9-10-17)12-3-5-13(18)6-4-12/h3-6,14H,7-11H2,1-2H3,(H,19,20).
What are the key properties of 1-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)cyclopropane-1-carboxamide has a molecular weight of 291.82 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115881748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).