2-[4-cyano-3-(trifluoromethyl)phenoxy]-N-(2-hydroxypropyl)benzamide

C18H15F3N2O3 — CID 11639166

IUPAC2-[4-cyano-3-(trifluoromethyl)phenoxy]-N-(2-hydroxypropyl)benzamide
SMILESCC(O)CNC(=O)c1ccccc1Oc1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C18H15F3N2O3/c1-11(24)10-23-17(25)14-4-2-3-5-16(14)26-13-7-6-12(9-22)15(8-13)18(19,20)21/h2-8,11,24H,10H2,1H3,(H,23,25)
InChIKeyDVJAWYGJCCEICM-UHFFFAOYSA-N
MW364.32 g/mol
LogP3.48
Rot. Bonds5

About 2-[4-cyano-3-(trifluoromethyl)phenoxy]-N-(2-hydroxypropyl)benzamide

2-[4-cyano-3-(trifluoromethyl)phenoxy]-N-(2-hydroxypropyl)benzamide (PubChem CID 11639166) has the molecular formula C18H15F3N2O3 and a molecular weight of 364.32 g/mol. Its IUPAC name is 2-[4-cyano-3-(trifluoromethyl)phenoxy]-N-(2-hydroxypropyl)benzamide.

Molecular Properties

Compound Name2-[4-cyano-3-(trifluoromethyl)phenoxy]-N-(2-hydroxypropyl)benzamide
PubChem CID11639166
Molecular FormulaC18H15F3N2O3
Molecular Weight364.32 g/mol
Exact Mass364.10
IUPAC Name2-[4-cyano-3-(trifluoromethyl)phenoxy]-N-(2-hydroxypropyl)benzamide
SMILESCC(O)CNC(=O)c1ccccc1Oc1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C18H15F3N2O3/c1-11(24)10-23-17(25)14-4-2-3-5-16(14)26-13-7-6-12(9-22)15(8-13)18(19,20)21/h2-8,11,24H,10H2,1H3,(H,23,25)
InChIKeyDVJAWYGJCCEICM-UHFFFAOYSA-N
XLogP3.48
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanophenoxy)-N-(2-hydroxypentyl)benzamide
CID 110000213
2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-2-hydroxypropyl]benzamide
CID 20788759
4-(4-hydroxypentoxy)-2-(trifluoromethyl)benzonitrile
CID 11448692
3-(4-cyanophenoxy)-N-(2-hydroxypropyl)benzamide
CID 111469744
4-(2-fluoro-3-methylphenoxy)-2-(trifluoromethyl)benzonitrile
CID 107658030
N-(2-hydroxypropyl)-2-(trifluoromethylsulfanyl)benzamide
CID 43427741
2-[4-cyano-3-(trifluoromethyl)phenoxy]-N-[(2-methoxyphenyl)methyl]-4-methylhexanamide
CID 68928715
4-[2-(1-aminoethyl)-4-fluorophenoxy]-2-(trifluoromethyl)benzonitrile
CID 11702559
2-(3-bromo-4-cyanophenoxy)benzoic acid
CID 107281295
2-tert-butyl-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031297
N-[3-[4-cyano-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)-2-hydroxy-3-propylsulfonylpropyl]-2-hydroxybenzamide
CID 139430931
2-fluoro-N-(2-hydroxypropyl)benzamide
CID 43391205

Frequently Asked Questions

What is the IUPAC name of 2-[4-cyano-3-(trifluoromethyl)phenoxy]-N-(2-hydroxypropyl)benzamide?
The IUPAC name of 2-[4-cyano-3-(trifluoromethyl)phenoxy]-N-(2-hydroxypropyl)benzamide (CID 11639166) is 2-[4-cyano-3-(trifluoromethyl)phenoxy]-N-(2-hydroxypropyl)benzamide.
What is the SMILES notation for 2-[4-cyano-3-(trifluoromethyl)phenoxy]-N-(2-hydroxypropyl)benzamide?
The canonical SMILES for 2-[4-cyano-3-(trifluoromethyl)phenoxy]-N-(2-hydroxypropyl)benzamide is CC(O)CNC(=O)c1ccccc1Oc1ccc(C#N)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-cyano-3-(trifluoromethyl)phenoxy]-N-(2-hydroxypropyl)benzamide?
The InChIKey is DVJAWYGJCCEICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O3/c1-11(24)10-23-17(25)14-4-2-3-5-16(14)26-13-7-6-12(9-22)15(8-13)18(19,20)21/h2-8,11,24H,10H2,1H3,(H,23,25).
What are the key properties of 2-[4-cyano-3-(trifluoromethyl)phenoxy]-N-(2-hydroxypropyl)benzamide?
2-[4-cyano-3-(trifluoromethyl)phenoxy]-N-(2-hydroxypropyl)benzamide has a molecular weight of 364.32 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyano-3-(trifluoromethyl)phenoxy]-N-(2-hydroxypropyl)benzamide is sourced from PubChem (CID 11639166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).