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

C14H10F2N2 — CID 54934561

IUPAC4-(2,5-difluoroanilino)-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1Nc1cc(F)ccc1F
InChIInChI=1S/C14H10F2N2/c1-9-6-10(8-17)2-5-13(9)18-14-7-11(15)3-4-12(14)16/h2-7,18H,1H3
InChIKeyHQJOBVUICSRNPA-UHFFFAOYSA-N
MW244.24 g/mol
LogP3.89
Rot. Bonds2

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

4-(2,5-difluoroanilino)-3-methylbenzonitrile (PubChem CID 54934561) has the molecular formula C14H10F2N2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 4-(2,5-difluoroanilino)-3-methylbenzonitrile.

Molecular Properties

Compound Name4-(2,5-difluoroanilino)-3-methylbenzonitrile
PubChem CID54934561
Molecular FormulaC14H10F2N2
Molecular Weight244.24 g/mol
Exact Mass244.08
IUPAC Name4-(2,5-difluoroanilino)-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1Nc1cc(F)ccc1F
InChIInChI=1S/C14H10F2N2/c1-9-6-10(8-17)2-5-13(9)18-14-7-11(15)3-4-12(14)16/h2-7,18H,1H3
InChIKeyHQJOBVUICSRNPA-UHFFFAOYSA-N
XLogP3.89
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluoroanilino)-3-methylbenzonitrile
CID 54933992
4-fluoro-3-methylbenzonitrile
CID 2779180
2-(2,5-difluoroanilino)-4-methylbenzonitrile
CID 62303625
4-(4-methoxy-2-methylanilino)-3-methylbenzonitrile
CID 55129912
3-amino-4-(4-chloro-2-methylanilino)benzonitrile
CID 82483242
4-(2,5-difluoroanilino)-3-methylbenzoic acid
CID 63212505
3-methyl-4-(methylamino)benzonitrile
CID 23343732
3-amino-4-(2,5-difluoro-4-methylanilino)benzonitrile
CID 103584481
5-fluoro-2-(5-fluoro-2-methylanilino)benzonitrile
CID 63667159
4-[(2-bromo-5-fluorophenyl)methylamino]-3-methylbenzonitrile
CID 54902973
4-(2,4-difluorophenyl)sulfanyl-3-methylbenzonitrile
CID 54934140
2-(4-amino-2-methylanilino)-5-fluorobenzonitrile
CID 82014840

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluoroanilino)-3-methylbenzonitrile?
The IUPAC name of 4-(2,5-difluoroanilino)-3-methylbenzonitrile (CID 54934561) is 4-(2,5-difluoroanilino)-3-methylbenzonitrile.
What is the SMILES notation for 4-(2,5-difluoroanilino)-3-methylbenzonitrile?
The canonical SMILES for 4-(2,5-difluoroanilino)-3-methylbenzonitrile is Cc1cc(C#N)ccc1Nc1cc(F)ccc1F.
What is the InChIKey of 4-(2,5-difluoroanilino)-3-methylbenzonitrile?
The InChIKey is HQJOBVUICSRNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2/c1-9-6-10(8-17)2-5-13(9)18-14-7-11(15)3-4-12(14)16/h2-7,18H,1H3.
What are the key properties of 4-(2,5-difluoroanilino)-3-methylbenzonitrile?
4-(2,5-difluoroanilino)-3-methylbenzonitrile has a molecular weight of 244.24 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluoroanilino)-3-methylbenzonitrile is sourced from PubChem (CID 54934561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).