2-hydroxy-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

C16H14F3NO2 — CID 31694167

IUPAC2-hydroxy-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)c(O)c1
InChIInChI=1S/C16H14F3NO2/c1-10-2-7-13(14(21)8-10)15(22)20-9-11-3-5-12(6-4-11)16(17,18)19/h2-8,21H,9H2,1H3,(H,20,22)
InChIKeyAGJHCRQXHYIJDI-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.65
Rot. Bonds3

About 2-hydroxy-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

2-hydroxy-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 31694167) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID31694167
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name2-hydroxy-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)c(O)c1
InChIInChI=1S/C16H14F3NO2/c1-10-2-7-13(14(21)8-10)15(22)20-9-11-3-5-12(6-4-11)16(17,18)19/h2-8,21H,9H2,1H3,(H,20,22)
InChIKeyAGJHCRQXHYIJDI-UHFFFAOYSA-N
XLogP3.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-hydroxy-4-methylbenzamide
CID 25243582
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 25402935
2-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylbenzamide
CID 63311354
N-[[3-(aminomethyl)phenyl]methyl]-2-hydroxy-4-methylbenzamide
CID 43589395
5-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 25403062
1-(2,4-dimethylphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 3822404
5-(3-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 71824448
3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 71548055
methyl 3-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-2,2-dimethylpropanoate
CID 18678023
2-amino-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 60699275
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-hydroxy-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 31694167) is 2-hydroxy-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-hydroxy-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-hydroxy-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is Cc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)c(O)c1.
What is the InChIKey of 2-hydroxy-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is AGJHCRQXHYIJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c1-10-2-7-13(14(21)8-10)15(22)20-9-11-3-5-12(6-4-11)16(17,18)19/h2-8,21H,9H2,1H3,(H,20,22).
What are the key properties of 2-hydroxy-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
2-hydroxy-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 309.29 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 31694167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).