3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]benzamide

C15H19F3N2O — CID 60977331

IUPAC3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]benzamide
SMILESNC(=O)c1cccc(CNC2CCCC(C(F)(F)F)C2)c1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)12-5-2-6-13(8-12)20-9-10-3-1-4-11(7-10)14(19)21/h1,3-4,7,12-13,20H,2,5-6,8-9H2,(H2,19,21)
InChIKeyBSOSRYLUTGCCGO-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.00
Rot. Bonds4

About 3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]benzamide

3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]benzamide (PubChem CID 60977331) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]benzamide
PubChem CID60977331
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]benzamide
SMILESNC(=O)c1cccc(CNC2CCCC(C(F)(F)F)C2)c1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)12-5-2-6-13(8-12)20-9-10-3-1-4-11(7-10)14(19)21/h1,3-4,7,12-13,20H,2,5-6,8-9H2,(H2,19,21)
InChIKeyBSOSRYLUTGCCGO-UHFFFAOYSA-N
XLogP3.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]methanol
CID 102609613
3-[[(4-hydroxycyclohexyl)amino]methyl]benzamide
CID 62998980
3-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]benzamide
CID 78921069
3-[[(3-phenylcyclobutyl)amino]methyl]benzamide
CID 43664689
3-[[[(1S,3R)-3-(trifluoromethyl)cyclohexanecarbonyl]amino]methyl]benzoic acid
CID 99849409
3-[(oxolan-3-ylamino)methyl]benzamide
CID 63332008
3-[(thiolan-3-ylamino)methyl]benzamide
CID 43664732
3-[[(2-methylcyclopentyl)amino]methyl]benzamide
CID 63277760
N-[2-methoxy-5-[[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]acetamide
CID 99626257
N-[(3-bromo-4-methylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 105401359
1-benzyl-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 32534298
3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzamide
CID 63277160

Frequently Asked Questions

What is the IUPAC name of 3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]benzamide?
The IUPAC name of 3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]benzamide (CID 60977331) is 3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]benzamide.
What is the SMILES notation for 3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]benzamide?
The canonical SMILES for 3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]benzamide is NC(=O)c1cccc(CNC2CCCC(C(F)(F)F)C2)c1.
What is the InChIKey of 3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]benzamide?
The InChIKey is BSOSRYLUTGCCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c16-15(17,18)12-5-2-6-13(8-12)20-9-10-3-1-4-11(7-10)14(19)21/h1,3-4,7,12-13,20H,2,5-6,8-9H2,(H2,19,21).
What are the key properties of 3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]benzamide?
3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]benzamide has a molecular weight of 300.32 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]benzamide is sourced from PubChem (CID 60977331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).