5-amino-3-chloro-2-(2-chloro-5-cyanoanilino)benzamide

C14H10Cl2N4O — CID 107196343

IUPAC5-amino-3-chloro-2-(2-chloro-5-cyanoanilino)benzamide
SMILESN#Cc1ccc(Cl)c(Nc2c(Cl)cc(N)cc2C(N)=O)c1
InChIInChI=1S/C14H10Cl2N4O/c15-10-2-1-7(6-17)3-12(10)20-13-9(14(19)21)4-8(18)5-11(13)16/h1-5,20H,18H2,(H2,19,21)
InChIKeyWEJNWDMDALKUTK-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.29
Rot. Bonds3

About 5-amino-3-chloro-2-(2-chloro-5-cyanoanilino)benzamide

5-amino-3-chloro-2-(2-chloro-5-cyanoanilino)benzamide (PubChem CID 107196343) has the molecular formula C14H10Cl2N4O and a molecular weight of 321.17 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(2-chloro-5-cyanoanilino)benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-(2-chloro-5-cyanoanilino)benzamide
PubChem CID107196343
Molecular FormulaC14H10Cl2N4O
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name5-amino-3-chloro-2-(2-chloro-5-cyanoanilino)benzamide
SMILESN#Cc1ccc(Cl)c(Nc2c(Cl)cc(N)cc2C(N)=O)c1
InChIInChI=1S/C14H10Cl2N4O/c15-10-2-1-7(6-17)3-12(10)20-13-9(14(19)21)4-8(18)5-11(13)16/h1-5,20H,18H2,(H2,19,21)
InChIKeyWEJNWDMDALKUTK-UHFFFAOYSA-N
XLogP3.29
TPSA104.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-3-chloro-2-(2-chloro-5-cyanoanilino)benzamide 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

5-amino-3-chloro-2-(2-chloroanilino)benzamide
CID 107193224
5-amino-2-(2-chloro-4-cyanoanilino)benzamide
CID 107809740
5-amino-3-chloro-2-(2-chloro-4-fluoroanilino)benzamide
CID 107192270
5-amino-2-(4-bromo-2,3-dichloroanilino)-3-chlorobenzamide
CID 107792965
5-amino-2-(2-bromo-4-chloroanilino)-3-chlorobenzamide
CID 107196396
5-amino-3-chloro-2-(4-fluoro-2-methylanilino)benzamide
CID 107193351
2-amino-5-(2-chloro-4-cyanoanilino)-4-fluorobenzamide
CID 107809746
methyl 5-amino-3-chloro-2-(3-cyanoanilino)benzoate
CID 107193190
5-amino-3-chloro-2-(2,4,6-trimethylanilino)benzamide
CID 107192577
5-amino-2-(5-bromo-2-methoxyanilino)-3-chlorobenzamide
CID 107195194
5-amino-3-chloro-2-(2-fluoro-5-methoxyanilino)benzamide
CID 107196316
5-amino-3-chloro-2-(cyclopropylamino)benzamide
CID 107192447

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(2-chloro-5-cyanoanilino)benzamide?
The IUPAC name of 5-amino-3-chloro-2-(2-chloro-5-cyanoanilino)benzamide (CID 107196343) is 5-amino-3-chloro-2-(2-chloro-5-cyanoanilino)benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-(2-chloro-5-cyanoanilino)benzamide?
The canonical SMILES for 5-amino-3-chloro-2-(2-chloro-5-cyanoanilino)benzamide is N#Cc1ccc(Cl)c(Nc2c(Cl)cc(N)cc2C(N)=O)c1.
What is the InChIKey of 5-amino-3-chloro-2-(2-chloro-5-cyanoanilino)benzamide?
The InChIKey is WEJNWDMDALKUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O/c15-10-2-1-7(6-17)3-12(10)20-13-9(14(19)21)4-8(18)5-11(13)16/h1-5,20H,18H2,(H2,19,21).
What are the key properties of 5-amino-3-chloro-2-(2-chloro-5-cyanoanilino)benzamide?
5-amino-3-chloro-2-(2-chloro-5-cyanoanilino)benzamide has a molecular weight of 321.17 g/mol, XLogP of 3.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-(2-chloro-5-cyanoanilino)benzamide is sourced from PubChem (CID 107196343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).