3-chloro-4-(3,5-dichloroanilino)benzonitrile

C13H7Cl3N2 — CID 63509890

IUPAC3-chloro-4-(3,5-dichloroanilino)benzonitrile
SMILESN#Cc1ccc(Nc2cc(Cl)cc(Cl)c2)c(Cl)c1
InChIInChI=1S/C13H7Cl3N2/c14-9-4-10(15)6-11(5-9)18-13-2-1-8(7-17)3-12(13)16/h1-6,18H
InChIKeyZQVXBXHPERMCRZ-UHFFFAOYSA-N
MW297.57 g/mol
LogP5.26
Rot. Bonds2

About 3-chloro-4-(3,5-dichloroanilino)benzonitrile

3-chloro-4-(3,5-dichloroanilino)benzonitrile (PubChem CID 63509890) has the molecular formula C13H7Cl3N2 and a molecular weight of 297.57 g/mol. Its IUPAC name is 3-chloro-4-(3,5-dichloroanilino)benzonitrile.

Molecular Properties

Compound Name3-chloro-4-(3,5-dichloroanilino)benzonitrile
PubChem CID63509890
Molecular FormulaC13H7Cl3N2
Molecular Weight297.57 g/mol
Exact Mass295.97
IUPAC Name3-chloro-4-(3,5-dichloroanilino)benzonitrile
SMILESN#Cc1ccc(Nc2cc(Cl)cc(Cl)c2)c(Cl)c1
InChIInChI=1S/C13H7Cl3N2/c14-9-4-10(15)6-11(5-9)18-13-2-1-8(7-17)3-12(13)16/h1-6,18H
InChIKeyZQVXBXHPERMCRZ-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

Analyze 3-chloro-4-(3,5-dichloroanilino)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

3-chloro-4-(3-chloroanilino)benzonitrile
CID 63510074
3-chloro-4-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile
CID 55196697
3-chloro-4-(3-methoxyanilino)benzonitrile
CID 55179677
4-(3-amino-5-ethoxyanilino)-3-chlorobenzonitrile
CID 107806999
3-chloro-4-[(2-hydrazinyl-4-pyridinyl)amino]benzonitrile
CID 107810668
4-(1-benzothiophen-5-ylamino)-3-chlorobenzonitrile
CID 65474945
3-chloro-4-(3-methylbutan-2-ylamino)benzonitrile
CID 55180669
5-(2-chloro-4-cyanoanilino)pyridine-2-carboxylic acid
CID 114003530
4-(2-chloro-4-cyanoanilino)pyridine-2-carboxylic acid
CID 107808817
3-chloro-4-[2-fluoro-5-(trifluoromethyl)anilino]benzonitrile
CID 63510677
4-(2-amino-4-fluoroanilino)-3-chlorobenzonitrile
CID 107806975
3-chloro-4-(2-chloro-3-methylanilino)benzonitrile
CID 114251227

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3,5-dichloroanilino)benzonitrile?
The IUPAC name of 3-chloro-4-(3,5-dichloroanilino)benzonitrile (CID 63509890) is 3-chloro-4-(3,5-dichloroanilino)benzonitrile.
What is the SMILES notation for 3-chloro-4-(3,5-dichloroanilino)benzonitrile?
The canonical SMILES for 3-chloro-4-(3,5-dichloroanilino)benzonitrile is N#Cc1ccc(Nc2cc(Cl)cc(Cl)c2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(3,5-dichloroanilino)benzonitrile?
The InChIKey is ZQVXBXHPERMCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3N2/c14-9-4-10(15)6-11(5-9)18-13-2-1-8(7-17)3-12(13)16/h1-6,18H.
What are the key properties of 3-chloro-4-(3,5-dichloroanilino)benzonitrile?
3-chloro-4-(3,5-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 3-chloro-4-(3,5-dichloroanilino)benzonitrile is sourced from PubChem (CID 63509890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).