4-(2,5-dimethylanilino)-2-fluorobenzonitrile

C15H13FN2 — CID 115367051

IUPAC4-(2,5-dimethylanilino)-2-fluorobenzonitrile
SMILESCc1ccc(C)c(Nc2ccc(C#N)c(F)c2)c1
InChIInChI=1S/C15H13FN2/c1-10-3-4-11(2)15(7-10)18-13-6-5-12(9-17)14(16)8-13/h3-8,18H,1-2H3
InChIKeyWOMQUNMBECBAGG-UHFFFAOYSA-N
MW240.28 g/mol
LogP4.06
Rot. Bonds2

About 4-(2,5-dimethylanilino)-2-fluorobenzonitrile

4-(2,5-dimethylanilino)-2-fluorobenzonitrile (PubChem CID 115367051) has the molecular formula C15H13FN2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 4-(2,5-dimethylanilino)-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-(2,5-dimethylanilino)-2-fluorobenzonitrile
PubChem CID115367051
Molecular FormulaC15H13FN2
Molecular Weight240.28 g/mol
Exact Mass240.11
IUPAC Name4-(2,5-dimethylanilino)-2-fluorobenzonitrile
SMILESCc1ccc(C)c(Nc2ccc(C#N)c(F)c2)c1
InChIInChI=1S/C15H13FN2/c1-10-3-4-11(2)15(7-10)18-13-6-5-12(9-17)14(16)8-13/h3-8,18H,1-2H3
InChIKeyWOMQUNMBECBAGG-UHFFFAOYSA-N
XLogP4.06
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2,5-dimethylanilino)-2-fluorobenzonitrile 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-(2,5-dimethylanilino)-2-methylbenzonitrile
CID 81277304
4-(3,4-dimethylanilino)-2-fluorobenzonitrile
CID 113295516
4-methyl-2-[4-methyl-3-(trifluoromethyl)anilino]benzonitrile
CID 63511324
2-fluoro-4-(3-fluoro-2-methylanilino)benzonitrile
CID 113295636
2-chloro-4-(5-fluoro-2-methylanilino)benzonitrile
CID 55194420
2-chloro-4-(2-fluoro-4-methylanilino)benzonitrile
CID 55195753
2-(3,4-dimethylanilino)-5-methylbenzonitrile
CID 107926959
5-chloro-2-(3-fluoro-4-methylanilino)benzonitrile
CID 63512248
2-(3-fluoro-4-methylanilino)-4-methoxybenzonitrile
CID 81299578
2-(2,5-dimethylanilino)benzonitrile
CID 11746208
4-(4-bromo-2,5-difluoroanilino)-2-fluorobenzonitrile
CID 107612112
4-[2-(dimethylamino)anilino]-2-fluorobenzonitrile
CID 106759948

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylanilino)-2-fluorobenzonitrile?
The IUPAC name of 4-(2,5-dimethylanilino)-2-fluorobenzonitrile (CID 115367051) is 4-(2,5-dimethylanilino)-2-fluorobenzonitrile.
What is the SMILES notation for 4-(2,5-dimethylanilino)-2-fluorobenzonitrile?
The canonical SMILES for 4-(2,5-dimethylanilino)-2-fluorobenzonitrile is Cc1ccc(C)c(Nc2ccc(C#N)c(F)c2)c1.
What is the InChIKey of 4-(2,5-dimethylanilino)-2-fluorobenzonitrile?
The InChIKey is WOMQUNMBECBAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2/c1-10-3-4-11(2)15(7-10)18-13-6-5-12(9-17)14(16)8-13/h3-8,18H,1-2H3.
What are the key properties of 4-(2,5-dimethylanilino)-2-fluorobenzonitrile?
4-(2,5-dimethylanilino)-2-fluorobenzonitrile has a molecular weight of 240.28 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylanilino)-2-fluorobenzonitrile is sourced from PubChem (CID 115367051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).