3-fluoro-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide

C12H13F4NO2 — CID 71972456

IUPAC3-fluoro-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide
SMILESCC(C)(O)CNC(=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H13F4NO2/c1-11(2,19)6-17-10(18)7-3-8(12(14,15)16)5-9(13)4-7/h3-5,19H,6H2,1-2H3,(H,17,18)
InChIKeyRRRBKSMCWUOYGO-UHFFFAOYSA-N
MW279.23 g/mol
LogP2.35
Rot. Bonds3

About 3-fluoro-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide

3-fluoro-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide (PubChem CID 71972456) has the molecular formula C12H13F4NO2 and a molecular weight of 279.23 g/mol. Its IUPAC name is 3-fluoro-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide
PubChem CID71972456
Molecular FormulaC12H13F4NO2
Molecular Weight279.23 g/mol
Exact Mass279.09
IUPAC Name3-fluoro-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide
SMILESCC(C)(O)CNC(=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H13F4NO2/c1-11(2,19)6-17-10(18)7-3-8(12(14,15)16)5-9(13)4-7/h3-5,19H,6H2,1-2H3,(H,17,18)
InChIKeyRRRBKSMCWUOYGO-UHFFFAOYSA-N
XLogP2.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.23
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(ethylamino)ethyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 119509675
3-fluoro-N-hexadecyl-5-(trifluoromethyl)benzamide
CID 91731345
3-[(3,5-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172560
N-(2,3-dihydroxy-2-methylpropyl)-3,5-difluorobenzamide
CID 66170625
3-fluoro-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-5-(trifluoromethyl)benzamide
CID 146152026
2-amino-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide
CID 70098587
3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide
CID 134422953
tert-butyl N-[2-[[3,5-bis(trifluoromethyl)benzoyl]amino]ethyl]carbamate
CID 52778261
methyl (2S)-3-[[3-chloro-5-(trifluoromethyl)benzoyl]amino]-2-hydroxy-2-methylpropanoate
CID 129359079
3-fluoro-N-[(2R)-4-methylpentan-2-yl]-5-(trifluoromethyl)benzamide;methane
CID 162064632
tert-butyl 3-[[2-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]acetyl]amino]azetidine-1-carboxylate
CID 59361584
3-acetamido-N-(2-amino-2-methylpropyl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 119628226

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-fluoro-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide (CID 71972456) is 3-fluoro-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-fluoro-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-fluoro-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide is CC(C)(O)CNC(=O)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-fluoro-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide?
The InChIKey is RRRBKSMCWUOYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO2/c1-11(2,19)6-17-10(18)7-3-8(12(14,15)16)5-9(13)4-7/h3-5,19H,6H2,1-2H3,(H,17,18).
What are the key properties of 3-fluoro-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide?
3-fluoro-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide has a molecular weight of 279.23 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 71972456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).