4-(3,4-dimethylanilino)-2-fluorobenzonitrile

C15H13FN2 — CID 113295516

IUPAC4-(3,4-dimethylanilino)-2-fluorobenzonitrile
SMILESCc1ccc(Nc2ccc(C#N)c(F)c2)cc1C
InChIInChI=1S/C15H13FN2/c1-10-3-5-13(7-11(10)2)18-14-6-4-12(9-17)15(16)8-14/h3-8,18H,1-2H3
InChIKeyREZFRKFUWDZMSS-UHFFFAOYSA-N
MW240.28 g/mol
LogP4.06
Rot. Bonds2

About 4-(3,4-dimethylanilino)-2-fluorobenzonitrile

4-(3,4-dimethylanilino)-2-fluorobenzonitrile (PubChem CID 113295516) has the molecular formula C15H13FN2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 4-(3,4-dimethylanilino)-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-(3,4-dimethylanilino)-2-fluorobenzonitrile
PubChem CID113295516
Molecular FormulaC15H13FN2
Molecular Weight240.28 g/mol
Exact Mass240.11
IUPAC Name4-(3,4-dimethylanilino)-2-fluorobenzonitrile
SMILESCc1ccc(Nc2ccc(C#N)c(F)c2)cc1C
InChIInChI=1S/C15H13FN2/c1-10-3-5-13(7-11(10)2)18-14-6-4-12(9-17)15(16)8-14/h3-8,18H,1-2H3
InChIKeyREZFRKFUWDZMSS-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

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Related Compounds

4-(2,5-dimethylanilino)-2-fluorobenzonitrile
CID 115367051
4-(4-bromo-3-methoxyanilino)-2-fluorobenzonitrile
CID 82867493
2-fluoro-4-(4-methylsulfonylanilino)benzonitrile
CID 115367088
2-fluoro-4-(3-fluoro-2-methylanilino)benzonitrile
CID 113295636
4-(4-chloroanilino)-2-methylbenzonitrile
CID 81277228
2-fluoro-4-(propylamino)benzonitrile
CID 115366947
2-fluoro-4-(3-iodoanilino)benzonitrile
CID 113295528
N-(4-fluorophenyl)-3,4-dimethylaniline
CID 11020276
2-(3,4-dimethylanilino)-5-methylbenzonitrile
CID 107926959
4-(1,3-benzodioxol-5-ylamino)-2-fluorobenzonitrile
CID 115367105
2-(3-fluoro-4-methylanilino)-4-methoxybenzonitrile
CID 81299578
5-chloro-2-(3-fluoro-4-methylanilino)benzonitrile
CID 63512248

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylanilino)-2-fluorobenzonitrile?
The IUPAC name of 4-(3,4-dimethylanilino)-2-fluorobenzonitrile (CID 113295516) is 4-(3,4-dimethylanilino)-2-fluorobenzonitrile.
What is the SMILES notation for 4-(3,4-dimethylanilino)-2-fluorobenzonitrile?
The canonical SMILES for 4-(3,4-dimethylanilino)-2-fluorobenzonitrile is Cc1ccc(Nc2ccc(C#N)c(F)c2)cc1C.
What is the InChIKey of 4-(3,4-dimethylanilino)-2-fluorobenzonitrile?
The InChIKey is REZFRKFUWDZMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2/c1-10-3-5-13(7-11(10)2)18-14-6-4-12(9-17)15(16)8-14/h3-8,18H,1-2H3.
What are the key properties of 4-(3,4-dimethylanilino)-2-fluorobenzonitrile?
4-(3,4-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-(3,4-dimethylanilino)-2-fluorobenzonitrile is sourced from PubChem (CID 113295516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).