N-(1-aminohexan-2-yl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride

C18H28ClFN2O — CID 119664783

IUPACN-(1-aminohexan-2-yl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)C1(c2cccc(F)c2)CCCC1.Cl
InChIInChI=1S/C18H27FN2O.ClH/c1-2-3-9-16(13-20)21-17(22)18(10-4-5-11-18)14-7-6-8-15(19)12-14;/h6-8,12,16H,2-5,9-11,13,20H2,1H3,(H,21,22);1H
InChIKeyVWQYUDOWTTVHQQ-UHFFFAOYSA-N
MW342.89 g/mol
LogP3.69
Rot. Bonds7

About N-(1-aminohexan-2-yl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride

N-(1-aminohexan-2-yl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119664783) has the molecular formula C18H28ClFN2O and a molecular weight of 342.89 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID119664783
Molecular FormulaC18H28ClFN2O
Molecular Weight342.89 g/mol
Exact Mass342.19
IUPAC NameN-(1-aminohexan-2-yl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)C1(c2cccc(F)c2)CCCC1.Cl
InChIInChI=1S/C18H27FN2O.ClH/c1-2-3-9-16(13-20)21-17(22)18(10-4-5-11-18)14-7-6-8-15(19)12-14;/h6-8,12,16H,2-5,9-11,13,20H2,1H3,(H,21,22);1H
InChIKeyVWQYUDOWTTVHQQ-UHFFFAOYSA-N
XLogP3.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.89
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminohexan-2-yl)-1-phenylcyclopentane-1-carboxamide;hydrochloride
CID 119667911
N-(1-aminohexan-2-yl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 119666253
N-(1-aminohexan-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 80698357
N-(3-aminobutyl)-1-(3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119495759
1-(3-fluorophenyl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]cyclopropane-1-carboxamide
CID 51499906
1-(1-aminohexan-2-yl)-3-(3-fluorophenyl)urea
CID 80696545
N-[(2R)-2-(ethylamino)propyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide
CID 120651377
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
CID 119500175
N-(1-aminohexan-2-yl)-2,4-difluorobenzamide
CID 80698461
3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid
CID 119237684
N-(2-amino-2-ethylbutyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 119639919
N-(2-ethoxyethyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 60557792

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride (CID 119664783) is N-(1-aminohexan-2-yl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride is CCCCC(CN)NC(=O)C1(c2cccc(F)c2)CCCC1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is VWQYUDOWTTVHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O.ClH/c1-2-3-9-16(13-20)21-17(22)18(10-4-5-11-18)14-7-6-8-15(19)12-14;/h6-8,12,16H,2-5,9-11,13,20H2,1H3,(H,21,22);1H.
What are the key properties of N-(1-aminohexan-2-yl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride?
N-(1-aminohexan-2-yl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 342.89 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119664783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).