2-chloro-4-(5-chloro-2-fluoroanilino)benzonitrile

C13H7Cl2FN2 — CID 55196328

IUPAC2-chloro-4-(5-chloro-2-fluoroanilino)benzonitrile
SMILESN#Cc1ccc(Nc2cc(Cl)ccc2F)cc1Cl
InChIInChI=1S/C13H7Cl2FN2/c14-9-2-4-12(16)13(5-9)18-10-3-1-8(7-17)11(15)6-10/h1-6,18H
InChIKeyXFMOUVNZPHLBBS-UHFFFAOYSA-N
MW281.12 g/mol
LogP4.75
Rot. Bonds2

About 2-chloro-4-(5-chloro-2-fluoroanilino)benzonitrile

2-chloro-4-(5-chloro-2-fluoroanilino)benzonitrile (PubChem CID 55196328) has the molecular formula C13H7Cl2FN2 and a molecular weight of 281.12 g/mol. Its IUPAC name is 2-chloro-4-(5-chloro-2-fluoroanilino)benzonitrile.

Molecular Properties

Compound Name2-chloro-4-(5-chloro-2-fluoroanilino)benzonitrile
PubChem CID55196328
Molecular FormulaC13H7Cl2FN2
Molecular Weight281.12 g/mol
Exact Mass280.00
IUPAC Name2-chloro-4-(5-chloro-2-fluoroanilino)benzonitrile
SMILESN#Cc1ccc(Nc2cc(Cl)ccc2F)cc1Cl
InChIInChI=1S/C13H7Cl2FN2/c14-9-2-4-12(16)13(5-9)18-10-3-1-8(7-17)11(15)6-10/h1-6,18H
InChIKeyXFMOUVNZPHLBBS-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

4-(2-bromo-5-chloroanilino)-2-chlorobenzonitrile
CID 81271577
2-(3-chloro-4-cyanoanilino)-6-fluorobenzonitrile
CID 62946987
2-chloro-4-(2-fluoro-4-methylanilino)benzonitrile
CID 55195753
2-chloro-4-(5-fluoro-2-methylanilino)benzonitrile
CID 55194420
4-(3-chloro-4-cyanoanilino)-3-fluorobenzoic acid
CID 63188308
5-(4-chloro-2-cyanoanilino)-2-fluorobenzonitrile
CID 62492574
5-chloro-2-(3,5-dichloro-4-fluoroanilino)benzonitrile
CID 107574674
3-(5-chloro-2-fluoroanilino)benzonitrile
CID 102815357
4-(4-bromo-2-chloroanilino)-2-chlorobenzonitrile
CID 63510934
4-(3-chloro-4-methylanilino)-2,3-difluorobenzonitrile
CID 107933151
4-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile
CID 62927040
2-chloro-4-(2,4-dimethylanilino)benzonitrile
CID 55194599

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(5-chloro-2-fluoroanilino)benzonitrile?
The IUPAC name of 2-chloro-4-(5-chloro-2-fluoroanilino)benzonitrile (CID 55196328) is 2-chloro-4-(5-chloro-2-fluoroanilino)benzonitrile.
What is the SMILES notation for 2-chloro-4-(5-chloro-2-fluoroanilino)benzonitrile?
The canonical SMILES for 2-chloro-4-(5-chloro-2-fluoroanilino)benzonitrile is N#Cc1ccc(Nc2cc(Cl)ccc2F)cc1Cl.
What is the InChIKey of 2-chloro-4-(5-chloro-2-fluoroanilino)benzonitrile?
The InChIKey is XFMOUVNZPHLBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FN2/c14-9-2-4-12(16)13(5-9)18-10-3-1-8(7-17)11(15)6-10/h1-6,18H.
What are the key properties of 2-chloro-4-(5-chloro-2-fluoroanilino)benzonitrile?
2-chloro-4-(5-chloro-2-fluoroanilino)benzonitrile 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-chloro-4-(5-chloro-2-fluoroanilino)benzonitrile is sourced from PubChem (CID 55196328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).