5-(4-hydroxy-N-methylanilino)-2-(trifluoromethyl)benzonitrile

C15H11F3N2O — CID 107735111

IUPAC5-(4-hydroxy-N-methylanilino)-2-(trifluoromethyl)benzonitrile
SMILESCN(c1ccc(O)cc1)c1ccc(C(F)(F)F)c(C#N)c1
InChIInChI=1S/C15H11F3N2O/c1-20(11-2-5-13(21)6-3-11)12-4-7-14(15(16,17)18)10(8-12)9-19/h2-8,21H,1H3
InChIKeyPMEASMQBMOLJQK-UHFFFAOYSA-N
MW292.26 g/mol
LogP4.05
Rot. Bonds2

About 5-(4-hydroxy-N-methylanilino)-2-(trifluoromethyl)benzonitrile

5-(4-hydroxy-N-methylanilino)-2-(trifluoromethyl)benzonitrile (PubChem CID 107735111) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is 5-(4-hydroxy-N-methylanilino)-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name5-(4-hydroxy-N-methylanilino)-2-(trifluoromethyl)benzonitrile
PubChem CID107735111
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC Name5-(4-hydroxy-N-methylanilino)-2-(trifluoromethyl)benzonitrile
SMILESCN(c1ccc(O)cc1)c1ccc(C(F)(F)F)c(C#N)c1
InChIInChI=1S/C15H11F3N2O/c1-20(11-2-5-13(21)6-3-11)12-4-7-14(15(16,17)18)10(8-12)9-19/h2-8,21H,1H3
InChIKeyPMEASMQBMOLJQK-UHFFFAOYSA-N
XLogP4.05
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(4-hydroxy-N-methylanilino)benzonitrile
CID 107735142
5-[1-hydroxypropan-2-yl(methyl)amino]-2-(trifluoromethyl)benzonitrile
CID 104551934
5-[2-methoxyethyl(prop-2-enyl)amino]-2-(trifluoromethyl)benzonitrile
CID 103339028
4-(N,3-dimethylanilino)-2-(trifluoromethyl)benzonitrile
CID 63510824
5-[azepan-4-yl(methyl)amino]-2-(trifluoromethyl)benzonitrile
CID 107174029
5-[methyl-(2-methyloxolan-3-yl)amino]-2-(trifluoromethyl)benzonitrile
CID 82737690
2,3-difluoro-4-(4-hydroxy-N-methylanilino)benzonitrile
CID 107933214
5-iodo-2-(trifluoromethyl)benzonitrile
CID 66762150
5-bromo-2-(trifluoromethyl)benzonitrile
CID 50998133
1-[4-cyano-3-(trifluoromethyl)phenyl]-1-methylthiourea
CID 88904021
1-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-hydroxyphenyl)-1-methyl-3-(2-methyl-1-oxopropan-2-yl)thiourea
CID 144584980
N-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]acetamide
CID 143635671

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-N-methylanilino)-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 5-(4-hydroxy-N-methylanilino)-2-(trifluoromethyl)benzonitrile (CID 107735111) is 5-(4-hydroxy-N-methylanilino)-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 5-(4-hydroxy-N-methylanilino)-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 5-(4-hydroxy-N-methylanilino)-2-(trifluoromethyl)benzonitrile is CN(c1ccc(O)cc1)c1ccc(C(F)(F)F)c(C#N)c1.
What is the InChIKey of 5-(4-hydroxy-N-methylanilino)-2-(trifluoromethyl)benzonitrile?
The InChIKey is PMEASMQBMOLJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O/c1-20(11-2-5-13(21)6-3-11)12-4-7-14(15(16,17)18)10(8-12)9-19/h2-8,21H,1H3.
What are the key properties of 5-(4-hydroxy-N-methylanilino)-2-(trifluoromethyl)benzonitrile?
5-(4-hydroxy-N-methylanilino)-2-(trifluoromethyl)benzonitrile has a molecular weight of 292.26 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-N-methylanilino)-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 107735111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).