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

C15H17F4NO — CID 80710862

IUPAC2-fluoro-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
SMILESCc1cccc(C(=O)NC2CCC(C(F)(F)F)CC2)c1F
InChIInChI=1S/C15H17F4NO/c1-9-3-2-4-12(13(9)16)14(21)20-11-7-5-10(6-8-11)15(17,18)19/h2-4,10-11H,5-8H2,1H3,(H,20,21)
InChIKeyFMGRWPHDALXCIQ-UHFFFAOYSA-N
MW303.30 g/mol
LogP3.99
Rot. Bonds2

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

2-fluoro-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide (PubChem CID 80710862) has the molecular formula C15H17F4NO and a molecular weight of 303.30 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
PubChem CID80710862
Molecular FormulaC15H17F4NO
Molecular Weight303.30 g/mol
Exact Mass303.12
IUPAC Name2-fluoro-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
SMILESCc1cccc(C(=O)NC2CCC(C(F)(F)F)CC2)c1F
InChIInChI=1S/C15H17F4NO/c1-9-3-2-4-12(13(9)16)14(21)20-11-7-5-10(6-8-11)15(17,18)19/h2-4,10-11H,5-8H2,1H3,(H,20,21)
InChIKeyFMGRWPHDALXCIQ-UHFFFAOYSA-N
XLogP3.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclobutyl-2-fluoro-3-methylbenzamide
CID 80712137
N-cycloheptyl-2-fluoro-3-methylbenzamide
CID 80719060
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CID 81481989
2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 81459818
2-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 61213533
N-cyclopropyl-2,3-difluorobenzamide
CID 62648987
N-(azetidin-3-yl)-2-fluoro-3-methylbenzamide
CID 81477193
2-fluoro-3-methyl-N-(oxepan-4-yl)benzamide
CID 136520781
N-cyclohex-3-en-1-yl-2-fluoro-3-methylbenzamide
CID 80712236
2-fluoro-3-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 80710472
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-fluoro-3-methylbenzamide
CID 80710716

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
The IUPAC name of 2-fluoro-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide (CID 80710862) is 2-fluoro-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
The canonical SMILES for 2-fluoro-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide is Cc1cccc(C(=O)NC2CCC(C(F)(F)F)CC2)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
The InChIKey is FMGRWPHDALXCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F4NO/c1-9-3-2-4-12(13(9)16)14(21)20-11-7-5-10(6-8-11)15(17,18)19/h2-4,10-11H,5-8H2,1H3,(H,20,21).
What are the key properties of 2-fluoro-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
2-fluoro-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide has a molecular weight of 303.30 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide is sourced from PubChem (CID 80710862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).