N-cyclohexyl-1-(4-fluorophenyl)-N-methylcyclopentane-1-carboxamide

C19H26FNO — CID 112760416

IUPACN-cyclohexyl-1-(4-fluorophenyl)-N-methylcyclopentane-1-carboxamide
SMILESCN(C(=O)C1(c2ccc(F)cc2)CCCC1)C1CCCCC1
InChIInChI=1S/C19H26FNO/c1-21(17-7-3-2-4-8-17)18(22)19(13-5-6-14-19)15-9-11-16(20)12-10-15/h9-12,17H,2-8,13-14H2,1H3
InChIKeyQMQMEKNEDSPPQW-UHFFFAOYSA-N
MW303.42 g/mol
LogP4.43
Rot. Bonds3

About N-cyclohexyl-1-(4-fluorophenyl)-N-methylcyclopentane-1-carboxamide

N-cyclohexyl-1-(4-fluorophenyl)-N-methylcyclopentane-1-carboxamide (PubChem CID 112760416) has the molecular formula C19H26FNO and a molecular weight of 303.42 g/mol. Its IUPAC name is N-cyclohexyl-1-(4-fluorophenyl)-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(4-fluorophenyl)-N-methylcyclopentane-1-carboxamide
PubChem CID112760416
Molecular FormulaC19H26FNO
Molecular Weight303.42 g/mol
Exact Mass303.20
IUPAC NameN-cyclohexyl-1-(4-fluorophenyl)-N-methylcyclopentane-1-carboxamide
SMILESCN(C(=O)C1(c2ccc(F)cc2)CCCC1)C1CCCCC1
InChIInChI=1S/C19H26FNO/c1-21(17-7-3-2-4-8-17)18(22)19(13-5-6-14-19)15-9-11-16(20)12-10-15/h9-12,17H,2-8,13-14H2,1H3
InChIKeyQMQMEKNEDSPPQW-UHFFFAOYSA-N
XLogP4.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-aminophenyl)-N-cyclohexyl-N-methylcyclopropane-1-carboxamide
CID 115913184
1-(4-bromophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide
CID 55521341
1-(4-chlorophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide
CID 55468765
1-(4-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide
CID 119550638
N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide
CID 110484027
1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 134005949
N-methyl-N-(1-methylpiperidin-4-yl)-1-(4-methylsulfonylphenyl)cyclobutane-1-carboxamide
CID 118788762
1-(4-aminophenyl)-N-methyl-N-(3-methylcyclohexyl)cyclopropane-1-carboxamide
CID 115913557
1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 6931371
1-(4-chlorophenyl)-N-methyl-N-(thian-4-yl)cyclopropane-1-carboxamide
CID 91830183
1-[1-(4-fluorophenyl)cyclobutyl]-2-methylpropan-1-one;1-[1-(4-fluorophenyl)cyclohexyl]-2-methylpropan-1-one;1-[1-(4-fluorophenyl)cyclopentyl]-2-methylpropan-1-one;1-[1-(4-fluorophenyl)cyclopropyl]-2-methylpropan-1-one
CID 167684249
N-(1,1-dioxothiolan-3-yl)-N-methyl-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198221

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(4-fluorophenyl)-N-methylcyclopentane-1-carboxamide?
The IUPAC name of N-cyclohexyl-1-(4-fluorophenyl)-N-methylcyclopentane-1-carboxamide (CID 112760416) is N-cyclohexyl-1-(4-fluorophenyl)-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(4-fluorophenyl)-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(4-fluorophenyl)-N-methylcyclopentane-1-carboxamide is CN(C(=O)C1(c2ccc(F)cc2)CCCC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-1-(4-fluorophenyl)-N-methylcyclopentane-1-carboxamide?
The InChIKey is QMQMEKNEDSPPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO/c1-21(17-7-3-2-4-8-17)18(22)19(13-5-6-14-19)15-9-11-16(20)12-10-15/h9-12,17H,2-8,13-14H2,1H3.
What are the key properties of N-cyclohexyl-1-(4-fluorophenyl)-N-methylcyclopentane-1-carboxamide?
N-cyclohexyl-1-(4-fluorophenyl)-N-methylcyclopentane-1-carboxamide has a molecular weight of 303.42 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(4-fluorophenyl)-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 112760416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).