2-(3,5-difluoroanilino)-4-methoxybenzonitrile

C14H10F2N2O — CID 81300164

IUPAC2-(3,5-difluoroanilino)-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)c(Nc2cc(F)cc(F)c2)c1
InChIInChI=1S/C14H10F2N2O/c1-19-13-3-2-9(8-17)14(7-13)18-12-5-10(15)4-11(16)6-12/h2-7,18H,1H3
InChIKeyAJBZHLUYNFWNEC-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.59
Rot. Bonds3

About 2-(3,5-difluoroanilino)-4-methoxybenzonitrile

2-(3,5-difluoroanilino)-4-methoxybenzonitrile (PubChem CID 81300164) has the molecular formula C14H10F2N2O and a molecular weight of 260.24 g/mol. Its IUPAC name is 2-(3,5-difluoroanilino)-4-methoxybenzonitrile.

Molecular Properties

Compound Name2-(3,5-difluoroanilino)-4-methoxybenzonitrile
PubChem CID81300164
Molecular FormulaC14H10F2N2O
Molecular Weight260.24 g/mol
Exact Mass260.08
IUPAC Name2-(3,5-difluoroanilino)-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)c(Nc2cc(F)cc(F)c2)c1
InChIInChI=1S/C14H10F2N2O/c1-19-13-3-2-9(8-17)14(7-13)18-12-5-10(15)4-11(16)6-12/h2-7,18H,1H3
InChIKeyAJBZHLUYNFWNEC-UHFFFAOYSA-N
XLogP3.59
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,5-difluoroanilino)-4-methoxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-2-(2,4,6-trifluoroanilino)benzonitrile
CID 81306553
2-(2-cyano-4-fluoroanilino)-4-methoxybenzonitrile
CID 82016657
2-(3-fluoro-4-methylanilino)-4-methoxybenzonitrile
CID 81299578
4-methoxy-2-[4-(trifluoromethyl)anilino]benzonitrile
CID 81296556
2-(3-chloro-4-methoxyanilino)-4-methoxybenzonitrile
CID 81299476
2-(3-ethynylanilino)-4-methoxybenzonitrile
CID 81299122
4-chloro-2-(3-fluoro-5-methylanilino)benzonitrile
CID 79049328
2-(2,2-dimethylhydrazinyl)-4-methoxybenzonitrile
CID 83016723
2-(ethylamino)-4-methoxybenzonitrile
CID 14388672
2-[3-(2-aminoethoxy)anilino]-4-methoxybenzonitrile
CID 81298754
2-[(2,5-difluorophenyl)methylamino]-4-methoxybenzonitrile
CID 81306790
2-[2-(difluoromethylsulfanyl)anilino]-4-methoxybenzonitrile
CID 81296342

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoroanilino)-4-methoxybenzonitrile?
The IUPAC name of 2-(3,5-difluoroanilino)-4-methoxybenzonitrile (CID 81300164) is 2-(3,5-difluoroanilino)-4-methoxybenzonitrile.
What is the SMILES notation for 2-(3,5-difluoroanilino)-4-methoxybenzonitrile?
The canonical SMILES for 2-(3,5-difluoroanilino)-4-methoxybenzonitrile is COc1ccc(C#N)c(Nc2cc(F)cc(F)c2)c1.
What is the InChIKey of 2-(3,5-difluoroanilino)-4-methoxybenzonitrile?
The InChIKey is AJBZHLUYNFWNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O/c1-19-13-3-2-9(8-17)14(7-13)18-12-5-10(15)4-11(16)6-12/h2-7,18H,1H3.
What are the key properties of 2-(3,5-difluoroanilino)-4-methoxybenzonitrile?
2-(3,5-difluoroanilino)-4-methoxybenzonitrile has a molecular weight of 260.24 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoroanilino)-4-methoxybenzonitrile is sourced from PubChem (CID 81300164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).