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

C15H18F4N2O — CID 119611281

IUPACN-[2-(aminomethyl)cyclohexyl]-2-fluoro-3-(trifluoromethyl)benzamide
SMILESNCC1CCCCC1NC(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C15H18F4N2O/c16-13-10(5-3-6-11(13)15(17,18)19)14(22)21-12-7-2-1-4-9(12)8-20/h3,5-6,9,12H,1-2,4,7-8,20H2,(H,21,22)
InChIKeyUNEHDXFYXOGAAF-UHFFFAOYSA-N
MW318.31 g/mol
LogP3.09
Rot. Bonds3

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

N-[2-(aminomethyl)cyclohexyl]-2-fluoro-3-(trifluoromethyl)benzamide (PubChem CID 119611281) has the molecular formula C15H18F4N2O and a molecular weight of 318.31 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-fluoro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-fluoro-3-(trifluoromethyl)benzamide
PubChem CID119611281
Molecular FormulaC15H18F4N2O
Molecular Weight318.31 g/mol
Exact Mass318.14
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-fluoro-3-(trifluoromethyl)benzamide
SMILESNCC1CCCCC1NC(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C15H18F4N2O/c16-13-10(5-3-6-11(13)15(17,18)19)14(22)21-12-7-2-1-4-9(12)8-20/h3,5-6,9,12H,1-2,4,7-8,20H2,(H,21,22)
InChIKeyUNEHDXFYXOGAAF-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

2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(trifluoromethyl)benzamide
CID 104956750
N-(2-chlorocyclohexyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 114301247
N-[2-(chloromethyl)cyclohexyl]-2-(trifluoromethyl)benzamide
CID 106366776
N-[2-(aminomethyl)cyclohexyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 119611820
N-[2-(aminomethyl)cyclopentyl]-2,3,4-trifluorobenzamide
CID 79749551
N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179
N-[2-(aminomethyl)cyclohexyl]-2-iodo-3-methylbenzamide;hydrochloride
CID 119610198
N-(2,2-dimethylcyclopropyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 79884450
2-fluoro-N-(4-hydroxycyclohexyl)-3-(trifluoromethyl)benzamide
CID 79884389
N-[2-(bromomethyl)cyclohexyl]-3-chloro-2-fluorobenzamide
CID 106367232
N-[2-(aminomethyl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114610419
N-[2-(aminomethyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 62955505

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-fluoro-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-fluoro-3-(trifluoromethyl)benzamide (CID 119611281) is N-[2-(aminomethyl)cyclohexyl]-2-fluoro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-fluoro-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-fluoro-3-(trifluoromethyl)benzamide is NCC1CCCCC1NC(=O)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-fluoro-3-(trifluoromethyl)benzamide?
The InChIKey is UNEHDXFYXOGAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F4N2O/c16-13-10(5-3-6-11(13)15(17,18)19)14(22)21-12-7-2-1-4-9(12)8-20/h3,5-6,9,12H,1-2,4,7-8,20H2,(H,21,22).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-fluoro-3-(trifluoromethyl)benzamide?
N-[2-(aminomethyl)cyclohexyl]-2-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]-2-fluoro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 119611281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).