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

C13H7Cl2FN2 — CID 63668512

IUPAC2-(2,4-dichloroanilino)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H7Cl2FN2/c14-9-1-3-13(11(15)6-9)18-12-4-2-10(16)5-8(12)7-17/h1-6,18H
InChIKeyZEHPIRKWNTUHNI-UHFFFAOYSA-N
MW281.12 g/mol
LogP4.75
Rot. Bonds2

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

2-(2,4-dichloroanilino)-5-fluorobenzonitrile (PubChem CID 63668512) has the molecular formula C13H7Cl2FN2 and a molecular weight of 281.12 g/mol. Its IUPAC name is 2-(2,4-dichloroanilino)-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-(2,4-dichloroanilino)-5-fluorobenzonitrile
PubChem CID63668512
Molecular FormulaC13H7Cl2FN2
Molecular Weight281.12 g/mol
Exact Mass280.00
IUPAC Name2-(2,4-dichloroanilino)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H7Cl2FN2/c14-9-1-3-13(11(15)6-9)18-12-4-2-10(16)5-8(12)7-17/h1-6,18H
InChIKeyZEHPIRKWNTUHNI-UHFFFAOYSA-N
XLogP4.75
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.12
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-fluoroanilino)-5-fluorobenzonitrile
CID 63669042
2-(2-chloro-4-fluoroanilino)-5-methylbenzonitrile
CID 107927006
5-chloro-2-(2,3,4-trifluoroanilino)benzonitrile
CID 55078330
2-(4-aminoanilino)-5-fluorobenzonitrile
CID 63672563
2-(3,4-difluoroanilino)-5-fluorobenzonitrile
CID 63668514
5-fluoro-2-(4-fluoro-2-iodoanilino)benzonitrile
CID 79766541
2-(2-amino-4-fluoroanilino)-5-fluorobenzonitrile
CID 82013407
2-(2,3-difluoroanilino)-5-fluorobenzonitrile
CID 55233913
5-chloro-2-(3,5-dichloro-4-fluoroanilino)benzonitrile
CID 107574674
4-chloro-2-(4-chloro-2-cyanoanilino)benzonitrile
CID 64916790
5-fluoro-2-(2,3,5,6-tetrafluoroanilino)benzonitrile
CID 107644805
5-fluoro-2-(5-fluoro-2-methylanilino)benzonitrile
CID 63667159

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloroanilino)-5-fluorobenzonitrile?
The IUPAC name of 2-(2,4-dichloroanilino)-5-fluorobenzonitrile (CID 63668512) is 2-(2,4-dichloroanilino)-5-fluorobenzonitrile.
What is the SMILES notation for 2-(2,4-dichloroanilino)-5-fluorobenzonitrile?
The canonical SMILES for 2-(2,4-dichloroanilino)-5-fluorobenzonitrile is N#Cc1cc(F)ccc1Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichloroanilino)-5-fluorobenzonitrile?
The InChIKey is ZEHPIRKWNTUHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FN2/c14-9-1-3-13(11(15)6-9)18-12-4-2-10(16)5-8(12)7-17/h1-6,18H.
What are the key properties of 2-(2,4-dichloroanilino)-5-fluorobenzonitrile?
2-(2,4-dichloroanilino)-5-fluorobenzonitrile has a molecular weight of 281.12 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloroanilino)-5-fluorobenzonitrile is sourced from PubChem (CID 63668512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).