N-[2-(aminomethyl)cyclohexyl]-4-fluoro-3-(trifluoromethyl)benzamide

C15H18F4N2O — CID 119611820

IUPACN-[2-(aminomethyl)cyclohexyl]-4-fluoro-3-(trifluoromethyl)benzamide
SMILESNCC1CCCCC1NC(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H18F4N2O/c16-12-6-5-9(7-11(12)15(17,18)19)14(22)21-13-4-2-1-3-10(13)8-20/h5-7,10,13H,1-4,8,20H2,(H,21,22)
InChIKeySCZBTEKLTLHDLL-UHFFFAOYSA-N
MW318.31 g/mol
LogP3.09
Rot. Bonds3

About N-[2-(aminomethyl)cyclohexyl]-4-fluoro-3-(trifluoromethyl)benzamide

N-[2-(aminomethyl)cyclohexyl]-4-fluoro-3-(trifluoromethyl)benzamide (PubChem CID 119611820) has the molecular formula C15H18F4N2O and a molecular weight of 318.31 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-4-fluoro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-4-fluoro-3-(trifluoromethyl)benzamide
PubChem CID119611820
Molecular FormulaC15H18F4N2O
Molecular Weight318.31 g/mol
Exact Mass318.14
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-4-fluoro-3-(trifluoromethyl)benzamide
SMILESNCC1CCCCC1NC(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H18F4N2O/c16-12-6-5-9(7-11(12)15(17,18)19)14(22)21-13-4-2-1-3-10(13)8-20/h5-7,10,13H,1-4,8,20H2,(H,21,22)
InChIKeySCZBTEKLTLHDLL-UHFFFAOYSA-N
XLogP3.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminocyclopentyl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 63251637
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide
CID 119612061
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide;hydrochloride
CID 119612060
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzamide;hydrochloride
CID 119612395
N-[2-(aminomethyl)cyclohexyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 119611281
N-[2-(aminomethyl)cyclohexyl]-4-(trifluoromethylsulfanyl)benzamide
CID 119611041
N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 81486981
N-[2-(aminomethyl)cyclohexyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119612152
N-[2-(aminomethyl)cyclohexyl]-2,6-difluoro-3-methylbenzamide
CID 82816320
N-[2-(aminomethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62955860
N-[2-(aminomethyl)cyclohexyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 119609318
N-[2-(aminomethyl)cyclopentyl]-2,3,4-trifluorobenzamide
CID 79749551

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-fluoro-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-fluoro-3-(trifluoromethyl)benzamide (CID 119611820) is N-[2-(aminomethyl)cyclohexyl]-4-fluoro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-4-fluoro-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-4-fluoro-3-(trifluoromethyl)benzamide is NCC1CCCCC1NC(=O)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-4-fluoro-3-(trifluoromethyl)benzamide?
The InChIKey is SCZBTEKLTLHDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F4N2O/c16-12-6-5-9(7-11(12)15(17,18)19)14(22)21-13-4-2-1-3-10(13)8-20/h5-7,10,13H,1-4,8,20H2,(H,21,22).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-4-fluoro-3-(trifluoromethyl)benzamide?
N-[2-(aminomethyl)cyclohexyl]-4-fluoro-3-(trifluoromethyl)benzamide has a molecular weight of 318.31 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-4-fluoro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 119611820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).