4-methoxy-2-[4-(trifluoromethyl)anilino]benzonitrile

C15H11F3N2O — CID 81296556

IUPAC4-methoxy-2-[4-(trifluoromethyl)anilino]benzonitrile
SMILESCOc1ccc(C#N)c(Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H11F3N2O/c1-21-13-7-2-10(9-19)14(8-13)20-12-5-3-11(4-6-12)15(16,17)18/h2-8,20H,1H3
InChIKeyMKYOSQSGLBCRCP-UHFFFAOYSA-N
MW292.26 g/mol
LogP4.33
Rot. Bonds3

About 4-methoxy-2-[4-(trifluoromethyl)anilino]benzonitrile

4-methoxy-2-[4-(trifluoromethyl)anilino]benzonitrile (PubChem CID 81296556) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is 4-methoxy-2-[4-(trifluoromethyl)anilino]benzonitrile.

Molecular Properties

Compound Name4-methoxy-2-[4-(trifluoromethyl)anilino]benzonitrile
PubChem CID81296556
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC Name4-methoxy-2-[4-(trifluoromethyl)anilino]benzonitrile
SMILESCOc1ccc(C#N)c(Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H11F3N2O/c1-21-13-7-2-10(9-19)14(8-13)20-12-5-3-11(4-6-12)15(16,17)18/h2-8,20H,1H3
InChIKeyMKYOSQSGLBCRCP-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

4-fluoro-2-[4-(trifluoromethyl)anilino]benzonitrile
CID 135372419
2-(3,5-difluoroanilino)-4-methoxybenzonitrile
CID 81300164
2-(3-fluoro-4-methylanilino)-4-methoxybenzonitrile
CID 81299578
2-(2-cyano-4-fluoroanilino)-4-methoxybenzonitrile
CID 82016657
2-(3-chloro-4-methoxyanilino)-4-methoxybenzonitrile
CID 81299476
4-methoxy-2-(2,4,6-trifluoroanilino)benzonitrile
CID 81306553
2-(3-ethynylanilino)-4-methoxybenzonitrile
CID 81299122
2-[2-(difluoromethylsulfanyl)anilino]-4-methoxybenzonitrile
CID 81296342
2-(4-methoxy-2-methylanilino)-4-methylbenzonitrile
CID 62870994
2-(2-chloro-4-iodoanilino)-4-methoxybenzonitrile
CID 107606692
4-(2-bromo-5-methoxyanilino)-2-methylbenzonitrile
CID 81282666
2-[(3-amino-2,2-difluoropropyl)amino]-4-methoxybenzonitrile
CID 114384341

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[4-(trifluoromethyl)anilino]benzonitrile?
The IUPAC name of 4-methoxy-2-[4-(trifluoromethyl)anilino]benzonitrile (CID 81296556) is 4-methoxy-2-[4-(trifluoromethyl)anilino]benzonitrile.
What is the SMILES notation for 4-methoxy-2-[4-(trifluoromethyl)anilino]benzonitrile?
The canonical SMILES for 4-methoxy-2-[4-(trifluoromethyl)anilino]benzonitrile is COc1ccc(C#N)c(Nc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 4-methoxy-2-[4-(trifluoromethyl)anilino]benzonitrile?
The InChIKey is MKYOSQSGLBCRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O/c1-21-13-7-2-10(9-19)14(8-13)20-12-5-3-11(4-6-12)15(16,17)18/h2-8,20H,1H3.
What are the key properties of 4-methoxy-2-[4-(trifluoromethyl)anilino]benzonitrile?
4-methoxy-2-[4-(trifluoromethyl)anilino]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 4-methoxy-2-[4-(trifluoromethyl)anilino]benzonitrile is sourced from PubChem (CID 81296556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).