1-(3-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide

C17H24FNO — CID 55590411

IUPAC1-(3-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESCC(C)CN(C)C(=O)C1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C17H24FNO/c1-13(2)12-19(3)16(20)17(9-4-5-10-17)14-7-6-8-15(18)11-14/h6-8,11,13H,4-5,9-10,12H2,1-3H3
InChIKeyOMFGIVXDASSXCU-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.75
Rot. Bonds4

About 1-(3-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide

1-(3-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide (PubChem CID 55590411) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide
PubChem CID55590411
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name1-(3-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESCC(C)CN(C)C(=O)C1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C17H24FNO/c1-13(2)12-19(3)16(20)17(9-4-5-10-17)14-7-6-8-15(18)11-14/h6-8,11,13H,4-5,9-10,12H2,1-3H3
InChIKeyOMFGIVXDASSXCU-UHFFFAOYSA-N
XLogP3.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 134005949
1-(3-fluorophenyl)-N-[(2-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 55329322
4-[[1-(3-fluorophenyl)cyclobutanecarbonyl]-methylamino]butanoic acid
CID 119173402
1-(3-fluorophenyl)-N-methyl-N-(1-phenylethyl)cyclobutane-1-carboxamide
CID 112812988
N-[2-(2-ethylanilino)-2-oxoethyl]-1-(3-fluorophenyl)-N-methylcyclobutane-1-carboxamide
CID 134022471
[1-(3-fluorophenyl)cyclopentyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 55339053
N-(2-hydroxypropyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 62335163
N-[2-(3-ethynylanilino)-2-oxoethyl]-1-(3-fluorophenyl)-N-methylcyclobutane-1-carboxamide
CID 55992203
[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 55314215
2-[1-(3-fluorophenyl)cyclopentyl]propanoic acid
CID 68973973
[3-[1-(3-fluorophenyl)cyclopentanecarbonyl]oxy-2-oxopropyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 3976420
3-[[1-(2,6-difluorophenyl)cyclobutanecarbonyl]-methylamino]-2-methylpropanoic acid
CID 122107742

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide (CID 55590411) is 1-(3-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide is CC(C)CN(C)C(=O)C1(c2cccc(F)c2)CCCC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide?
The InChIKey is OMFGIVXDASSXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-13(2)12-19(3)16(20)17(9-4-5-10-17)14-7-6-8-15(18)11-14/h6-8,11,13H,4-5,9-10,12H2,1-3H3.
What are the key properties of 1-(3-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide?
1-(3-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide has a molecular weight of 277.38 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 55590411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).