4-(4-fluoroanilino)-3-methylbenzonitrile

C14H11FN2 — CID 54933992

IUPAC4-(4-fluoroanilino)-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1Nc1ccc(F)cc1
InChIInChI=1S/C14H11FN2/c1-10-8-11(9-16)2-7-14(10)17-13-5-3-12(15)4-6-13/h2-8,17H,1H3
InChIKeyQAKNWZGAEPNWPL-UHFFFAOYSA-N
MW226.25 g/mol
LogP3.75
Rot. Bonds2

About 4-(4-fluoroanilino)-3-methylbenzonitrile

4-(4-fluoroanilino)-3-methylbenzonitrile (PubChem CID 54933992) has the molecular formula C14H11FN2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 4-(4-fluoroanilino)-3-methylbenzonitrile.

Molecular Properties

Compound Name4-(4-fluoroanilino)-3-methylbenzonitrile
PubChem CID54933992
Molecular FormulaC14H11FN2
Molecular Weight226.25 g/mol
Exact Mass226.09
IUPAC Name4-(4-fluoroanilino)-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1Nc1ccc(F)cc1
InChIInChI=1S/C14H11FN2/c1-10-8-11(9-16)2-7-14(10)17-13-5-3-12(15)4-6-13/h2-8,17H,1H3
InChIKeyQAKNWZGAEPNWPL-UHFFFAOYSA-N
XLogP3.75
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,5-difluoroanilino)-3-methylbenzonitrile
CID 54934561
4-(2,4-dimethylanilino)benzonitrile
CID 29269980
4-(3-chloro-4-methylanilino)-3-methylbenzonitrile
CID 55195164
3-methyl-4-(3-methylanilino)benzonitrile
CID 54934182
3-fluoro-4-(3-fluoro-4-methylanilino)benzonitrile
CID 43657209
4-(4-methoxy-2-methylanilino)-3-methylbenzonitrile
CID 55129912
4-(2-bromo-4-fluoroanilino)benzonitrile
CID 28939526
3-methyl-4-(methylamino)benzonitrile
CID 23343732
4-(4-cyanoanilino)-3-methylbenzoic acid
CID 63212717
3-(4-fluoroanilino)-4-nitrobenzonitrile
CID 118938253
4-[(2-bromo-5-fluorophenyl)methylamino]-3-methylbenzonitrile
CID 54902973
4-fluoro-3-methylbenzonitrile
CID 2779180

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoroanilino)-3-methylbenzonitrile?
The IUPAC name of 4-(4-fluoroanilino)-3-methylbenzonitrile (CID 54933992) is 4-(4-fluoroanilino)-3-methylbenzonitrile.
What is the SMILES notation for 4-(4-fluoroanilino)-3-methylbenzonitrile?
The canonical SMILES for 4-(4-fluoroanilino)-3-methylbenzonitrile is Cc1cc(C#N)ccc1Nc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluoroanilino)-3-methylbenzonitrile?
The InChIKey is QAKNWZGAEPNWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2/c1-10-8-11(9-16)2-7-14(10)17-13-5-3-12(15)4-6-13/h2-8,17H,1H3.
What are the key properties of 4-(4-fluoroanilino)-3-methylbenzonitrile?
4-(4-fluoroanilino)-3-methylbenzonitrile has a molecular weight of 226.25 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoroanilino)-3-methylbenzonitrile is sourced from PubChem (CID 54933992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).