4-chloro-2-(2,5-dichloroanilino)benzonitrile

C13H7Cl3N2 — CID 55194781

IUPAC4-chloro-2-(2,5-dichloroanilino)benzonitrile
SMILESN#Cc1ccc(Cl)cc1Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H7Cl3N2/c14-9-2-1-8(7-17)12(5-9)18-13-6-10(15)3-4-11(13)16/h1-6,18H
InChIKeyZHOJYGPUGNAVJI-UHFFFAOYSA-N
MW297.57 g/mol
LogP5.26
Rot. Bonds2

About 4-chloro-2-(2,5-dichloroanilino)benzonitrile

4-chloro-2-(2,5-dichloroanilino)benzonitrile (PubChem CID 55194781) has the molecular formula C13H7Cl3N2 and a molecular weight of 297.57 g/mol. Its IUPAC name is 4-chloro-2-(2,5-dichloroanilino)benzonitrile.

Molecular Properties

Compound Name4-chloro-2-(2,5-dichloroanilino)benzonitrile
PubChem CID55194781
Molecular FormulaC13H7Cl3N2
Molecular Weight297.57 g/mol
Exact Mass295.97
IUPAC Name4-chloro-2-(2,5-dichloroanilino)benzonitrile
SMILESN#Cc1ccc(Cl)cc1Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H7Cl3N2/c14-9-2-1-8(7-17)12(5-9)18-13-6-10(15)3-4-11(13)16/h1-6,18H
InChIKeyZHOJYGPUGNAVJI-UHFFFAOYSA-N
XLogP5.26
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.57
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(4-chloro-2-cyanoanilino)benzonitrile
CID 64916790
4-chloro-2-(2,5-dichloro-4-methylanilino)benzonitrile
CID 104727196
4-chloro-2-(2,3-difluoroanilino)benzonitrile
CID 63093409
4-chloro-2-(4-chloro-3-methoxyanilino)benzonitrile
CID 107621927
2-(4-amino-2-fluoroanilino)-4-chlorobenzonitrile
CID 64914398
2-(2-amino-5-bromoanilino)-4-chlorobenzonitrile
CID 65342420
2-(2-bromo-5-methylanilino)-4-chlorobenzonitrile
CID 82756889
2-(4-amino-2-bromoanilino)-4-chlorobenzonitrile
CID 64914992
2-(4-amino-2-methylanilino)-4-chlorobenzonitrile
CID 64914595
3-(2-amino-5-chloroanilino)-4-chlorobenzonitrile
CID 113315838
4-chloro-2-[(6-chloropyridazin-3-yl)amino]benzonitrile
CID 64918738
2-(2-amino-5-bromo-4-fluoroanilino)-4-chlorobenzonitrile
CID 116736023

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,5-dichloroanilino)benzonitrile?
The IUPAC name of 4-chloro-2-(2,5-dichloroanilino)benzonitrile (CID 55194781) is 4-chloro-2-(2,5-dichloroanilino)benzonitrile.
What is the SMILES notation for 4-chloro-2-(2,5-dichloroanilino)benzonitrile?
The canonical SMILES for 4-chloro-2-(2,5-dichloroanilino)benzonitrile is N#Cc1ccc(Cl)cc1Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 4-chloro-2-(2,5-dichloroanilino)benzonitrile?
The InChIKey is ZHOJYGPUGNAVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3N2/c14-9-2-1-8(7-17)12(5-9)18-13-6-10(15)3-4-11(13)16/h1-6,18H.
What are the key properties of 4-chloro-2-(2,5-dichloroanilino)benzonitrile?
4-chloro-2-(2,5-dichloroanilino)benzonitrile has a molecular weight of 297.57 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,5-dichloroanilino)benzonitrile is sourced from PubChem (CID 55194781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).