2-amino-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide

C14H9Cl2N3O — CID 43168358

IUPAC2-amino-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide
SMILESN#Cc1ccc(NC(=O)c2ccc(Cl)cc2N)cc1Cl
InChIInChI=1S/C14H9Cl2N3O/c15-9-2-4-11(13(18)5-9)14(20)19-10-3-1-8(7-17)12(16)6-10/h1-6H,18H2,(H,19,20)
InChIKeySZJPJLDZIVIAEG-UHFFFAOYSA-N
MW306.15 g/mol
LogP3.70
Rot. Bonds2

About 2-amino-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide

2-amino-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide (PubChem CID 43168358) has the molecular formula C14H9Cl2N3O and a molecular weight of 306.15 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide
PubChem CID43168358
Molecular FormulaC14H9Cl2N3O
Molecular Weight306.15 g/mol
Exact Mass305.01
IUPAC Name2-amino-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide
SMILESN#Cc1ccc(NC(=O)c2ccc(Cl)cc2N)cc1Cl
InChIInChI=1S/C14H9Cl2N3O/c15-9-2-4-11(13(18)5-9)14(20)19-10-3-1-8(7-17)12(16)6-10/h1-6H,18H2,(H,19,20)
InChIKeySZJPJLDZIVIAEG-UHFFFAOYSA-N
XLogP3.70
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-4-chloro-N-(3-chloro-4-cyanophenyl)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

2-amino-5-chloro-N-(3,4-dicyanophenyl)benzamide
CID 107786836
4-[(2-amino-4-chlorobenzoyl)amino]-2-chlorobenzamide
CID 62057564
2-amino-4-chlorobenzonitrile;2-amino-4-chloro-N-hydroxybenzamide
CID 158472386
4-amino-N-(3-chloro-4-cyanophenyl)-3-fluorobenzamide
CID 62679836
2-amino-4-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
CID 107571179
2-amino-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide
CID 63110257
2-amino-4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 107806873
2-bromo-4-chloro-N-(4-chloro-3-cyanophenyl)benzamide
CID 103763591
1-(4-aminophenyl)-3-(3-chloro-4-cyanophenyl)urea
CID 43469099
N-(3-chloro-4-cyanophenyl)-4-hydrazinylpyridine-3-carboxamide
CID 81255856
2-amino-4-chloro-N-(1H-indol-5-yl)benzamide
CID 63110093
N-(3-chloro-4-cyanophenyl)-2,5-dimethylfuran-3-carboxamide
CID 78780293

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide?
The IUPAC name of 2-amino-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide (CID 43168358) is 2-amino-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide?
The canonical SMILES for 2-amino-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide is N#Cc1ccc(NC(=O)c2ccc(Cl)cc2N)cc1Cl.
What is the InChIKey of 2-amino-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide?
The InChIKey is SZJPJLDZIVIAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O/c15-9-2-4-11(13(18)5-9)14(20)19-10-3-1-8(7-17)12(16)6-10/h1-6H,18H2,(H,19,20).
What are the key properties of 2-amino-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide?
2-amino-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide has a molecular weight of 306.15 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide is sourced from PubChem (CID 43168358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).