3-amino-N-(2-fluoro-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride

C14H20ClFN2O — CID 119675270

IUPAC3-amino-N-(2-fluoro-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C2CCCC(N)C2)c(F)c1.Cl
InChIInChI=1S/C14H19FN2O.ClH/c1-9-5-6-13(12(15)7-9)17-14(18)10-3-2-4-11(16)8-10;/h5-7,10-11H,2-4,8,16H2,1H3,(H,17,18);1H
InChIKeyJSOUYFTXNAGLSB-UHFFFAOYSA-N
MW286.78 g/mol
LogP3.01
Rot. Bonds2

About 3-amino-N-(2-fluoro-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride

3-amino-N-(2-fluoro-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119675270) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is 3-amino-N-(2-fluoro-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-fluoro-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119675270
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC Name3-amino-N-(2-fluoro-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C2CCCC(N)C2)c(F)c1.Cl
InChIInChI=1S/C14H19FN2O.ClH/c1-9-5-6-13(12(15)7-9)17-14(18)10-3-2-4-11(16)8-10;/h5-7,10-11H,2-4,8,16H2,1H3,(H,17,18);1H
InChIKeyJSOUYFTXNAGLSB-UHFFFAOYSA-N
XLogP3.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-(2-fluoro-4-methylphenyl)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

3-amino-N-(2,4-difluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673269
N-(2-acetamido-5-methylphenyl)-3-aminocyclohexane-1-carboxamide
CID 119707704
3-amino-N-(2-chloro-5-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119705338
N-(5-acetamido-2-fluorophenyl)-3-aminocyclohexane-1-carboxamide;hydrochloride
CID 119705036
3-amino-N-(2,5-difluorophenyl)cyclohexane-1-carboxamide
CID 55146164
N-(2-fluoro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119263786
3-amino-N-(4-methyl-2-propoxyphenyl)cyclohexane-1-carboxamide
CID 63042176
3-amino-N-[4-fluoro-2-(4-fluorophenyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119771657
3-amino-N-(3,5-dimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673929
3-amino-N-(2-bromo-4-fluorophenyl)cyclohexane-1-carboxamide
CID 55147503
3-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 63042143
2-[(3-aminocyclohexanecarbonyl)amino]-5-fluorobenzoic acid
CID 63047302

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-fluoro-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-fluoro-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride (CID 119675270) is 3-amino-N-(2-fluoro-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-fluoro-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-fluoro-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride is Cc1ccc(NC(=O)C2CCCC(N)C2)c(F)c1.Cl.
What is the InChIKey of 3-amino-N-(2-fluoro-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is JSOUYFTXNAGLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O.ClH/c1-9-5-6-13(12(15)7-9)17-14(18)10-3-2-4-11(16)8-10;/h5-7,10-11H,2-4,8,16H2,1H3,(H,17,18);1H.
What are the key properties of 3-amino-N-(2-fluoro-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-(2-fluoro-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 286.78 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-fluoro-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119675270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).