2-(2-cyano-4-fluoroanilino)-4-methoxybenzonitrile

C15H10FN3O — CID 82016657

IUPAC2-(2-cyano-4-fluoroanilino)-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)c(Nc2ccc(F)cc2C#N)c1
InChIInChI=1S/C15H10FN3O/c1-20-13-4-2-10(8-17)15(7-13)19-14-5-3-12(16)6-11(14)9-18/h2-7,19H,1H3
InChIKeyHIUMSMVSJNAJAH-UHFFFAOYSA-N
MW267.26 g/mol
LogP3.32
Rot. Bonds3

About 2-(2-cyano-4-fluoroanilino)-4-methoxybenzonitrile

2-(2-cyano-4-fluoroanilino)-4-methoxybenzonitrile (PubChem CID 82016657) has the molecular formula C15H10FN3O and a molecular weight of 267.26 g/mol. Its IUPAC name is 2-(2-cyano-4-fluoroanilino)-4-methoxybenzonitrile.

Molecular Properties

Compound Name2-(2-cyano-4-fluoroanilino)-4-methoxybenzonitrile
PubChem CID82016657
Molecular FormulaC15H10FN3O
Molecular Weight267.26 g/mol
Exact Mass267.08
IUPAC Name2-(2-cyano-4-fluoroanilino)-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)c(Nc2ccc(F)cc2C#N)c1
InChIInChI=1S/C15H10FN3O/c1-20-13-4-2-10(8-17)15(7-13)19-14-5-3-12(16)6-11(14)9-18/h2-7,19H,1H3
InChIKeyHIUMSMVSJNAJAH-UHFFFAOYSA-N
XLogP3.32
TPSA68.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-difluoroanilino)-4-methoxybenzonitrile
CID 81300164
4-methoxy-2-(2,4,6-trifluoroanilino)benzonitrile
CID 81306553
2-(2-fluoro-5-methoxyanilino)-5-methylbenzonitrile
CID 107927648
4-methoxy-2-[4-(trifluoromethyl)anilino]benzonitrile
CID 81296556
2-[(2,5-difluorophenyl)methylamino]-4-methoxybenzonitrile
CID 81306790
4-(difluoromethoxy)-2-(4-fluoro-2-methylanilino)benzonitrile
CID 155452838
2-(4-methoxy-2-methylanilino)-4-methylbenzonitrile
CID 62870994
2-(2,2-dimethylhydrazinyl)-4-methoxybenzonitrile
CID 83016723
5-fluoro-2-(5-fluoro-2-methylanilino)benzonitrile
CID 63667159
2-(3-fluoro-4-methylanilino)-4-methoxybenzonitrile
CID 81299578
2-(2-chloro-4-iodoanilino)-4-methoxybenzonitrile
CID 107606692
5-fluoro-2-(4-fluoro-2-iodoanilino)benzonitrile
CID 79766541

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-4-fluoroanilino)-4-methoxybenzonitrile?
The IUPAC name of 2-(2-cyano-4-fluoroanilino)-4-methoxybenzonitrile (CID 82016657) is 2-(2-cyano-4-fluoroanilino)-4-methoxybenzonitrile.
What is the SMILES notation for 2-(2-cyano-4-fluoroanilino)-4-methoxybenzonitrile?
The canonical SMILES for 2-(2-cyano-4-fluoroanilino)-4-methoxybenzonitrile is COc1ccc(C#N)c(Nc2ccc(F)cc2C#N)c1.
What is the InChIKey of 2-(2-cyano-4-fluoroanilino)-4-methoxybenzonitrile?
The InChIKey is HIUMSMVSJNAJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O/c1-20-13-4-2-10(8-17)15(7-13)19-14-5-3-12(16)6-11(14)9-18/h2-7,19H,1H3.
What are the key properties of 2-(2-cyano-4-fluoroanilino)-4-methoxybenzonitrile?
2-(2-cyano-4-fluoroanilino)-4-methoxybenzonitrile has a molecular weight of 267.26 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-4-fluoroanilino)-4-methoxybenzonitrile is sourced from PubChem (CID 82016657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).