N-(3-aminobutyl)-1-(3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride

C17H26ClFN2O — CID 119495759

IUPACN-(3-aminobutyl)-1-(3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)C1(c2cccc(F)c2)CCCCC1.Cl
InChIInChI=1S/C17H25FN2O.ClH/c1-13(19)8-11-20-16(21)17(9-3-2-4-10-17)14-6-5-7-15(18)12-14;/h5-7,12-13H,2-4,8-11,19H2,1H3,(H,20,21);1H
InChIKeyVKPSWJCNSLJLOD-UHFFFAOYSA-N
MW328.86 g/mol
LogP3.30
Rot. Bonds5

About N-(3-aminobutyl)-1-(3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride

N-(3-aminobutyl)-1-(3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119495759) has the molecular formula C17H26ClFN2O and a molecular weight of 328.86 g/mol. Its IUPAC name is N-(3-aminobutyl)-1-(3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-1-(3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119495759
Molecular FormulaC17H26ClFN2O
Molecular Weight328.86 g/mol
Exact Mass328.17
IUPAC NameN-(3-aminobutyl)-1-(3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)C1(c2cccc(F)c2)CCCCC1.Cl
InChIInChI=1S/C17H25FN2O.ClH/c1-13(19)8-11-20-16(21)17(9-3-2-4-10-17)14-6-5-7-15(18)12-14;/h5-7,12-13H,2-4,8-11,19H2,1H3,(H,20,21);1H
InChIKeyVKPSWJCNSLJLOD-UHFFFAOYSA-N
XLogP3.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.86
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-aminobutyl)-1-(3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluorophenyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 110904346
N-(2-ethoxyethyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 60557792
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
CID 119500175
N-[(2R)-2-(ethylamino)propyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide
CID 120651377
N-[2-(4-aminophenyl)ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide;hydrochloride
CID 119547553
N-(3-aminobutyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide
CID 119495916
3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid
CID 119237684
N-(3-aminobutyl)-1-(3-methoxy-4-methylphenyl)cyclopentane-1-carboxamide
CID 119496437
1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 111445692
N-[2-(benzenesulfonamido)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 86922420
3-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249767
2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid
CID 119171698

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-1-(3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-1-(3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride (CID 119495759) is N-(3-aminobutyl)-1-(3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-1-(3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-1-(3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride is CC(N)CCNC(=O)C1(c2cccc(F)c2)CCCCC1.Cl.
What is the InChIKey of N-(3-aminobutyl)-1-(3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is VKPSWJCNSLJLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O.ClH/c1-13(19)8-11-20-16(21)17(9-3-2-4-10-17)14-6-5-7-15(18)12-14;/h5-7,12-13H,2-4,8-11,19H2,1H3,(H,20,21);1H.
What are the key properties of N-(3-aminobutyl)-1-(3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride?
N-(3-aminobutyl)-1-(3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 328.86 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-1-(3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119495759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).