2-(2-fluoro-5-methoxyanilino)-5-methylbenzonitrile

C15H13FN2O — CID 107927648

IUPAC2-(2-fluoro-5-methoxyanilino)-5-methylbenzonitrile
SMILESCOc1ccc(F)c(Nc2ccc(C)cc2C#N)c1
InChIInChI=1S/C15H13FN2O/c1-10-3-6-14(11(7-10)9-17)18-15-8-12(19-2)4-5-13(15)16/h3-8,18H,1-2H3
InChIKeyGZKNKARPHDXYND-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.76
Rot. Bonds3

About 2-(2-fluoro-5-methoxyanilino)-5-methylbenzonitrile

2-(2-fluoro-5-methoxyanilino)-5-methylbenzonitrile (PubChem CID 107927648) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-(2-fluoro-5-methoxyanilino)-5-methylbenzonitrile.

Molecular Properties

Compound Name2-(2-fluoro-5-methoxyanilino)-5-methylbenzonitrile
PubChem CID107927648
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name2-(2-fluoro-5-methoxyanilino)-5-methylbenzonitrile
SMILESCOc1ccc(F)c(Nc2ccc(C)cc2C#N)c1
InChIInChI=1S/C15H13FN2O/c1-10-3-6-14(11(7-10)9-17)18-15-8-12(19-2)4-5-13(15)16/h3-8,18H,1-2H3
InChIKeyGZKNKARPHDXYND-UHFFFAOYSA-N
XLogP3.76
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyano-4-fluoroanilino)-4-methoxybenzonitrile
CID 82016657
2-(2-fluoro-5-methoxyanilino)-3-methylbenzonitrile
CID 107107062
2-(4-methoxy-2-methylanilino)-4-methylbenzonitrile
CID 62870994
2-(4-bromo-5-fluoro-2-methylanilino)-5-methylbenzonitrile
CID 107927887
2-(2-fluoro-5-methoxyphenyl)-4-methylbenzonitrile
CID 172915420
5-methyl-2-(2,3,4,5,6-pentafluoroanilino)benzonitrile
CID 107927707
2-(5-chloro-2-methylanilino)-5-methylbenzonitrile
CID 114016776
2-(2,5-difluoroanilino)-4-methylbenzonitrile
CID 62303625
2-[(4-methoxyphenyl)methylamino]-5-methylbenzonitrile
CID 107926880
5-methyl-2-(4-propan-2-yloxyanilino)benzonitrile
CID 107926997
2-[4-(2-aminoethoxy)anilino]-5-methylbenzonitrile
CID 107931679
2-(2-chloro-4-fluoroanilino)-5-methylbenzonitrile
CID 107927006

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methoxyanilino)-5-methylbenzonitrile?
The IUPAC name of 2-(2-fluoro-5-methoxyanilino)-5-methylbenzonitrile (CID 107927648) is 2-(2-fluoro-5-methoxyanilino)-5-methylbenzonitrile.
What is the SMILES notation for 2-(2-fluoro-5-methoxyanilino)-5-methylbenzonitrile?
The canonical SMILES for 2-(2-fluoro-5-methoxyanilino)-5-methylbenzonitrile is COc1ccc(F)c(Nc2ccc(C)cc2C#N)c1.
What is the InChIKey of 2-(2-fluoro-5-methoxyanilino)-5-methylbenzonitrile?
The InChIKey is GZKNKARPHDXYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-10-3-6-14(11(7-10)9-17)18-15-8-12(19-2)4-5-13(15)16/h3-8,18H,1-2H3.
What are the key properties of 2-(2-fluoro-5-methoxyanilino)-5-methylbenzonitrile?
2-(2-fluoro-5-methoxyanilino)-5-methylbenzonitrile has a molecular weight of 256.28 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methoxyanilino)-5-methylbenzonitrile is sourced from PubChem (CID 107927648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).