1-(4-fluorophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide;hydrochloride

C16H24ClFN2O — CID 120829002

IUPAC1-(4-fluorophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)C1(c2ccc(F)cc2)CCCC1.Cl
InChIInChI=1S/C16H23FN2O.ClH/c1-12(18-2)11-19-15(20)16(9-3-4-10-16)13-5-7-14(17)8-6-13;/h5-8,12,18H,3-4,9-11H2,1-2H3,(H,19,20);1H
InChIKeyFWVHNOKVSDITND-UHFFFAOYSA-N
MW314.83 g/mol
LogP2.78
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide;hydrochloride

1-(4-fluorophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 120829002) has the molecular formula C16H24ClFN2O and a molecular weight of 314.83 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID120829002
Molecular FormulaC16H24ClFN2O
Molecular Weight314.83 g/mol
Exact Mass314.16
IUPAC Name1-(4-fluorophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)C1(c2ccc(F)cc2)CCCC1.Cl
InChIInChI=1S/C16H23FN2O.ClH/c1-12(18-2)11-19-15(20)16(9-3-4-10-16)13-5-7-14(17)8-6-13;/h5-8,12,18H,3-4,9-11H2,1-2H3,(H,19,20);1H
InChIKeyFWVHNOKVSDITND-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.83
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide
CID 120830481
1-(4-fluorophenyl)-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 110438203
N-[2-(methylamino)propyl]-4-phenyloxane-4-carboxamide;hydrochloride
CID 120832802
N-(2-aminoethyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119384814
1-(3-bromophenyl)-N-[2-(methylamino)propyl]cyclohexane-1-carboxamide
CID 120827705
3-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-methoxypropanoic acid
CID 106107057
1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)cyclopentane-1-carboxamide
CID 46642602
N-[(2R)-2-(ethylamino)propyl]-1-phenylcyclopentane-1-carboxamide;hydrochloride
CID 120650550
1-(4-fluorophenyl)-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 112537817
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 112794324
3-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 119250298
1-(4-chlorophenyl)-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide
CID 168737013

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide;hydrochloride (CID 120829002) is 1-(4-fluorophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide;hydrochloride is CNC(C)CNC(=O)C1(c2ccc(F)cc2)CCCC1.Cl.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is FWVHNOKVSDITND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O.ClH/c1-12(18-2)11-19-15(20)16(9-3-4-10-16)13-5-7-14(17)8-6-13;/h5-8,12,18H,3-4,9-11H2,1-2H3,(H,19,20);1H.
What are the key properties of 1-(4-fluorophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide;hydrochloride?
1-(4-fluorophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 314.83 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120829002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).