N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-hydroxy-5-methylbenzamide

C16H13F4NO2 — CID 46474447

IUPACN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)NCc2ccc(F)cc2C(F)(F)F)c1
InChIInChI=1S/C16H13F4NO2/c1-9-2-5-14(22)12(6-9)15(23)21-8-10-3-4-11(17)7-13(10)16(18,19)20/h2-7,22H,8H2,1H3,(H,21,23)
InChIKeyAHJVBTPKNJLUPT-UHFFFAOYSA-N
MW327.28 g/mol
LogP3.79
Rot. Bonds3

About N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-hydroxy-5-methylbenzamide

N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-hydroxy-5-methylbenzamide (PubChem CID 46474447) has the molecular formula C16H13F4NO2 and a molecular weight of 327.28 g/mol. Its IUPAC name is N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-hydroxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-hydroxy-5-methylbenzamide
PubChem CID46474447
Molecular FormulaC16H13F4NO2
Molecular Weight327.28 g/mol
Exact Mass327.09
IUPAC NameN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)NCc2ccc(F)cc2C(F)(F)F)c1
InChIInChI=1S/C16H13F4NO2/c1-9-2-5-14(22)12(6-9)15(23)21-8-10-3-4-11(17)7-13(10)16(18,19)20/h2-7,22H,8H2,1H3,(H,21,23)
InChIKeyAHJVBTPKNJLUPT-UHFFFAOYSA-N
XLogP3.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide
CID 46474467
N-[(2-ethylphenyl)methyl]-5-fluoro-2-hydroxybenzamide
CID 115299129
5-acetamido-2-fluoro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide
CID 60567845
2,3-dichloro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide
CID 10270238
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)propanamide
CID 46485625
N-[(2,5-difluorophenyl)methyl]-5-fluoro-2-hydroxybenzamide
CID 79880980
5-fluoro-2-hydroxy-N-[(4-methylthiophen-3-yl)methyl]benzamide
CID 115299175
2-hydroxy-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide
CID 37297652
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119706350
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4,4-dimethylpent-2-enamide
CID 72689731
1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-pentan-3-ylurea
CID 78880942
2-(2,6-dimethylphenoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55705908

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-hydroxy-5-methylbenzamide?
The IUPAC name of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-hydroxy-5-methylbenzamide (CID 46474447) is N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-hydroxy-5-methylbenzamide.
What is the SMILES notation for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-hydroxy-5-methylbenzamide?
The canonical SMILES for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-hydroxy-5-methylbenzamide is Cc1ccc(O)c(C(=O)NCc2ccc(F)cc2C(F)(F)F)c1.
What is the InChIKey of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-hydroxy-5-methylbenzamide?
The InChIKey is AHJVBTPKNJLUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4NO2/c1-9-2-5-14(22)12(6-9)15(23)21-8-10-3-4-11(17)7-13(10)16(18,19)20/h2-7,22H,8H2,1H3,(H,21,23).
What are the key properties of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-hydroxy-5-methylbenzamide?
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-hydroxy-5-methylbenzamide has a molecular weight of 327.28 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-hydroxy-5-methylbenzamide is sourced from PubChem (CID 46474447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).