4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(trifluoromethyl)benzamide

C14H17F4NO2 — CID 103895529

IUPAC4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(trifluoromethyl)benzamide
SMILESCC(C)(O)C(C)(C)NC(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H17F4NO2/c1-12(2,13(3,4)21)19-11(20)8-5-6-10(15)9(7-8)14(16,17)18/h5-7,21H,1-4H3,(H,19,20)
InChIKeyUXPUIGAGCJVWEH-UHFFFAOYSA-N
MW307.29 g/mol
LogP3.12
Rot. Bonds3

About 4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(trifluoromethyl)benzamide

4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(trifluoromethyl)benzamide (PubChem CID 103895529) has the molecular formula C14H17F4NO2 and a molecular weight of 307.29 g/mol. Its IUPAC name is 4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(trifluoromethyl)benzamide
PubChem CID103895529
Molecular FormulaC14H17F4NO2
Molecular Weight307.29 g/mol
Exact Mass307.12
IUPAC Name4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(trifluoromethyl)benzamide
SMILESCC(C)(O)C(C)(C)NC(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H17F4NO2/c1-12(2,13(3,4)21)19-11(20)8-5-6-10(15)9(7-8)14(16,17)18/h5-7,21H,1-4H3,(H,19,20)
InChIKeyUXPUIGAGCJVWEH-UHFFFAOYSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride
CID 119524337
4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64996833
4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-nitrobenzamide
CID 106180498
N-(1-bromo-2-methylbutan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 114314492
4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
CID 113347731
N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 81486981
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-2-(methylamino)propan-1-one
CID 107290953
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
CID 84698309
4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide
CID 118641910
4-fluoro-3-(trifluoromethyl)benzoate
CID 6921666
[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]thiourea
CID 65216860
2-(ethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
CID 107290933

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(trifluoromethyl)benzamide (CID 103895529) is 4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(trifluoromethyl)benzamide is CC(C)(O)C(C)(C)NC(=O)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is UXPUIGAGCJVWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4NO2/c1-12(2,13(3,4)21)19-11(20)8-5-6-10(15)9(7-8)14(16,17)18/h5-7,21H,1-4H3,(H,19,20).
What are the key properties of 4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(trifluoromethyl)benzamide?
4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 307.29 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 103895529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).