4-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)benzamide

C19H20F3NO2 — CID 134106589

IUPAC4-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(C(O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H20F3NO2/c1-12(2)11-23-18(25)14-8-6-13(7-9-14)17(24)15-4-3-5-16(10-15)19(20,21)22/h3-10,12,17,24H,11H2,1-2H3,(H,23,25)
InChIKeyLTVWUCIYACCXQF-UHFFFAOYSA-N
MW351.37 g/mol
LogP4.17
Rot. Bonds5

About 4-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)benzamide

4-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)benzamide (PubChem CID 134106589) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 4-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)benzamide
PubChem CID134106589
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name4-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(C(O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H20F3NO2/c1-12(2)11-23-18(25)14-8-6-13(7-9-14)17(24)15-4-3-5-16(10-15)19(20,21)22/h3-10,12,17,24H,11H2,1-2H3,(H,23,25)
InChIKeyLTVWUCIYACCXQF-UHFFFAOYSA-N
XLogP4.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 8912081
3-hydroxy-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-4-methylbenzamide
CID 110014991
(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 60799413
N-[2-(2-methylpropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 86976279
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 887218
2-methoxy-N-(2-methylpropyl)-5-(trifluoromethyl)benzamide
CID 167264759
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 110889483
N-[4-oxo-4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butyl]benzamide
CID 51181257
4-propan-2-yl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 28639338
N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-methylpropyl)oxamide
CID 90534872
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 102602799
N-[(2S)-2-(4-nitrophenyl)propyl]-3-(trifluoromethyl)benzamide
CID 1297065

Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)benzamide (CID 134106589) is 4-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccc(C(O)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)benzamide?
The InChIKey is LTVWUCIYACCXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO2/c1-12(2)11-23-18(25)14-8-6-13(7-9-14)17(24)15-4-3-5-16(10-15)19(20,21)22/h3-10,12,17,24H,11H2,1-2H3,(H,23,25).
What are the key properties of 4-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)benzamide?
4-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)benzamide has a molecular weight of 351.37 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 134106589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).