2-(2-methoxyanilino)-5-(trifluoromethyl)benzonitrile

C15H11F3N2O — CID 43331039

IUPAC2-(2-methoxyanilino)-5-(trifluoromethyl)benzonitrile
SMILESCOc1ccccc1Nc1ccc(C(F)(F)F)cc1C#N
InChIInChI=1S/C15H11F3N2O/c1-21-14-5-3-2-4-13(14)20-12-7-6-11(15(16,17)18)8-10(12)9-19/h2-8,20H,1H3
InChIKeyMQHOPVCRCTXVGP-UHFFFAOYSA-N
MW292.26 g/mol
LogP4.33
Rot. Bonds3

About 2-(2-methoxyanilino)-5-(trifluoromethyl)benzonitrile

2-(2-methoxyanilino)-5-(trifluoromethyl)benzonitrile (PubChem CID 43331039) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-5-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name2-(2-methoxyanilino)-5-(trifluoromethyl)benzonitrile
PubChem CID43331039
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC Name2-(2-methoxyanilino)-5-(trifluoromethyl)benzonitrile
SMILESCOc1ccccc1Nc1ccc(C(F)(F)F)cc1C#N
InChIInChI=1S/C15H11F3N2O/c1-21-14-5-3-2-4-13(14)20-12-7-6-11(15(16,17)18)8-10(12)9-19/h2-8,20H,1H3
InChIKeyMQHOPVCRCTXVGP-UHFFFAOYSA-N
XLogP4.33
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dimethylanilino)-5-(trifluoromethyl)benzonitrile
CID 43331086
2-methoxy-4-(trifluoromethyl)benzonitrile
CID 19001376
2-(2,5-dimethylanilino)-5-(trifluoromethyl)benzonitrile
CID 43153539
2-(2-amino-4-methylanilino)-5-(trifluoromethyl)benzonitrile
CID 115910953
2-(2,6-dichloroanilino)-5-(trifluoromethyl)benzonitrile
CID 65467469
2-(5-bromo-2-fluoroanilino)-5-(trifluoromethyl)benzonitrile
CID 43555845
2-[2-(2-methoxyphenyl)-4-(trifluoromethyl)phenyl]acetonitrile
CID 172650232
2-(4-amino-2-iodoanilino)-5-(trifluoromethyl)benzonitrile
CID 115910956
N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide
CID 67798826
2-methoxy-N-methyl-5-(trifluoromethyl)aniline
CID 21307264
5-methyl-2-[2-(trifluoromethyl)anilino]benzonitrile
CID 107926853
2-(2-amino-5-bromoanilino)-5-(trifluoromethyl)benzonitrile
CID 115910960

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-5-(trifluoromethyl)benzonitrile?
The IUPAC name of 2-(2-methoxyanilino)-5-(trifluoromethyl)benzonitrile (CID 43331039) is 2-(2-methoxyanilino)-5-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 2-(2-methoxyanilino)-5-(trifluoromethyl)benzonitrile?
The canonical SMILES for 2-(2-methoxyanilino)-5-(trifluoromethyl)benzonitrile is COc1ccccc1Nc1ccc(C(F)(F)F)cc1C#N.
What is the InChIKey of 2-(2-methoxyanilino)-5-(trifluoromethyl)benzonitrile?
The InChIKey is MQHOPVCRCTXVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O/c1-21-14-5-3-2-4-13(14)20-12-7-6-11(15(16,17)18)8-10(12)9-19/h2-8,20H,1H3.
What are the key properties of 2-(2-methoxyanilino)-5-(trifluoromethyl)benzonitrile?
2-(2-methoxyanilino)-5-(trifluoromethyl)benzonitrile has a molecular weight of 292.26 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-5-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 43331039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).