2-fluoro-N-(4-hydroxycyclohexyl)-3-(trifluoromethyl)benzamide

C14H15F4NO2 — CID 79884389

IUPAC2-fluoro-N-(4-hydroxycyclohexyl)-3-(trifluoromethyl)benzamide
SMILESO=C(NC1CCC(O)CC1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C14H15F4NO2/c15-12-10(2-1-3-11(12)14(16,17)18)13(21)19-8-4-6-9(20)7-5-8/h1-3,8-9,20H,4-7H2,(H,19,21)
InChIKeyKCHZVSUPFWZIPJ-UHFFFAOYSA-N
MW305.27 g/mol
LogP2.88
Rot. Bonds2

About 2-fluoro-N-(4-hydroxycyclohexyl)-3-(trifluoromethyl)benzamide

2-fluoro-N-(4-hydroxycyclohexyl)-3-(trifluoromethyl)benzamide (PubChem CID 79884389) has the molecular formula C14H15F4NO2 and a molecular weight of 305.27 g/mol. Its IUPAC name is 2-fluoro-N-(4-hydroxycyclohexyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(4-hydroxycyclohexyl)-3-(trifluoromethyl)benzamide
PubChem CID79884389
Molecular FormulaC14H15F4NO2
Molecular Weight305.27 g/mol
Exact Mass305.10
IUPAC Name2-fluoro-N-(4-hydroxycyclohexyl)-3-(trifluoromethyl)benzamide
SMILESO=C(NC1CCC(O)CC1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C14H15F4NO2/c15-12-10(2-1-3-11(12)14(16,17)18)13(21)19-8-4-6-9(20)7-5-8/h1-3,8-9,20H,4-7H2,(H,19,21)
InChIKeyKCHZVSUPFWZIPJ-UHFFFAOYSA-N
XLogP2.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(3-methylcyclobutyl)-3-(trifluoromethyl)benzamide
CID 113252168
methyl 3-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylate
CID 119048405
2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(trifluoromethyl)benzamide
CID 104956750
N-cyclopropyl-2,3-difluorobenzamide
CID 62648987
N-(2-cyclopropylethyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885002
N-(2,2-dimethylcyclopropyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 79884450
N-(2-chlorocyclohexyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 114301247
2-fluoro-N-hydroxy-3-(trifluoromethyl)benzamide
CID 18696136
[2-fluoro-3-(trifluoromethyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 79885733
2,3-dihydroxy-N-(4-hydroxycyclohexyl)benzamide
CID 104966719
2-fluoro-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 80710862
3-fluoro-2-hydrazinyl-N-(4-hydroxycyclohexyl)benzamide
CID 62660970

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-hydroxycyclohexyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-(4-hydroxycyclohexyl)-3-(trifluoromethyl)benzamide (CID 79884389) is 2-fluoro-N-(4-hydroxycyclohexyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(4-hydroxycyclohexyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-(4-hydroxycyclohexyl)-3-(trifluoromethyl)benzamide is O=C(NC1CCC(O)CC1)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of 2-fluoro-N-(4-hydroxycyclohexyl)-3-(trifluoromethyl)benzamide?
The InChIKey is KCHZVSUPFWZIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4NO2/c15-12-10(2-1-3-11(12)14(16,17)18)13(21)19-8-4-6-9(20)7-5-8/h1-3,8-9,20H,4-7H2,(H,19,21).
What are the key properties of 2-fluoro-N-(4-hydroxycyclohexyl)-3-(trifluoromethyl)benzamide?
2-fluoro-N-(4-hydroxycyclohexyl)-3-(trifluoromethyl)benzamide has a molecular weight of 305.27 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-hydroxycyclohexyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 79884389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).