4-chloro-2-(2,3-difluoroanilino)benzonitrile

C13H7ClF2N2 — CID 63093409

IUPAC4-chloro-2-(2,3-difluoroanilino)benzonitrile
SMILESN#Cc1ccc(Cl)cc1Nc1cccc(F)c1F
InChIInChI=1S/C13H7ClF2N2/c14-9-5-4-8(7-17)12(6-9)18-11-3-1-2-10(15)13(11)16/h1-6,18H
InChIKeyPXWWYCPUENDPDJ-UHFFFAOYSA-N
MW264.66 g/mol
LogP4.23
Rot. Bonds2

About 4-chloro-2-(2,3-difluoroanilino)benzonitrile

4-chloro-2-(2,3-difluoroanilino)benzonitrile (PubChem CID 63093409) has the molecular formula C13H7ClF2N2 and a molecular weight of 264.66 g/mol. Its IUPAC name is 4-chloro-2-(2,3-difluoroanilino)benzonitrile.

Molecular Properties

Compound Name4-chloro-2-(2,3-difluoroanilino)benzonitrile
PubChem CID63093409
Molecular FormulaC13H7ClF2N2
Molecular Weight264.66 g/mol
Exact Mass264.03
IUPAC Name4-chloro-2-(2,3-difluoroanilino)benzonitrile
SMILESN#Cc1ccc(Cl)cc1Nc1cccc(F)c1F
InChIInChI=1S/C13H7ClF2N2/c14-9-5-4-8(7-17)12(6-9)18-11-3-1-2-10(15)13(11)16/h1-6,18H
InChIKeyPXWWYCPUENDPDJ-UHFFFAOYSA-N
XLogP4.23
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.66
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2-(2,3-difluoroanilino)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-(4-chloro-2-cyanoanilino)benzonitrile
CID 64916790
4-chloro-2-(2,5-dichloroanilino)benzonitrile
CID 55194781
2-(2,3-difluoroanilino)-5-fluorobenzonitrile
CID 55233913
5-chloro-2-(2,3,4-trifluoroanilino)benzonitrile
CID 55078330
2-(3-chloro-2-fluoroanilino)-4-methylbenzonitrile
CID 63510091
4-bromo-2-(3-chloro-2-fluoroanilino)benzonitrile
CID 114901396
2-(4-amino-2-fluoroanilino)-4-chlorobenzonitrile
CID 64914398
1-(5-chloro-2-cyanophenyl)-3-(2-fluorophenyl)urea
CID 64918546
4-chloro-2-[(2-methylquinolin-8-yl)amino]benzonitrile
CID 63510997
2-(2-amino-5-bromo-4-fluoroanilino)-4-chlorobenzonitrile
CID 116736023
4-(2,3-difluoroanilino)benzonitrile
CID 61076836
2-(2-amino-5-chloroanilino)benzonitrile
CID 113315594

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,3-difluoroanilino)benzonitrile?
The IUPAC name of 4-chloro-2-(2,3-difluoroanilino)benzonitrile (CID 63093409) is 4-chloro-2-(2,3-difluoroanilino)benzonitrile.
What is the SMILES notation for 4-chloro-2-(2,3-difluoroanilino)benzonitrile?
The canonical SMILES for 4-chloro-2-(2,3-difluoroanilino)benzonitrile is N#Cc1ccc(Cl)cc1Nc1cccc(F)c1F.
What is the InChIKey of 4-chloro-2-(2,3-difluoroanilino)benzonitrile?
The InChIKey is PXWWYCPUENDPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2N2/c14-9-5-4-8(7-17)12(6-9)18-11-3-1-2-10(15)13(11)16/h1-6,18H.
What are the key properties of 4-chloro-2-(2,3-difluoroanilino)benzonitrile?
4-chloro-2-(2,3-difluoroanilino)benzonitrile has a molecular weight of 264.66 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,3-difluoroanilino)benzonitrile is sourced from PubChem (CID 63093409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).