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

C13H11Cl2N3O — CID 107193224

IUPAC5-amino-3-chloro-2-(2-chloroanilino)benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1Nc1ccccc1Cl
InChIInChI=1S/C13H11Cl2N3O/c14-9-3-1-2-4-11(9)18-12-8(13(17)19)5-7(16)6-10(12)15/h1-6,18H,16H2,(H2,17,19)
InChIKeyOACLJMRRJHBYQI-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.42
Rot. Bonds3

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

5-amino-3-chloro-2-(2-chloroanilino)benzamide (PubChem CID 107193224) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(2-chloroanilino)benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-(2-chloroanilino)benzamide
PubChem CID107193224
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name5-amino-3-chloro-2-(2-chloroanilino)benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1Nc1ccccc1Cl
InChIInChI=1S/C13H11Cl2N3O/c14-9-3-1-2-4-11(9)18-12-8(13(17)19)5-7(16)6-10(12)15/h1-6,18H,16H2,(H2,17,19)
InChIKeyOACLJMRRJHBYQI-UHFFFAOYSA-N
XLogP3.42
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-chloro-2-(2-chloro-4-fluoroanilino)benzamide
CID 107192270
5-amino-3-chloro-2-(2-chloro-5-cyanoanilino)benzamide
CID 107196343
5-amino-2-(2-bromo-4-chloroanilino)-3-chlorobenzamide
CID 107196396
5-amino-2-(4-bromo-2,3-dichloroanilino)-3-chlorobenzamide
CID 107792965
5-amino-3-chloro-2-(4-fluoro-2-methylanilino)benzamide
CID 107193351
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
5-amino-3-chloro-2-(pyrimidin-5-ylamino)benzamide
CID 107589721
5-amino-3-chloro-2-(2,3-dimethylanilino)benzoic acid
CID 107193418
5-amino-3-chloro-2-(ethylamino)benzamide
CID 107192494

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(2-chloroanilino)benzamide?
The IUPAC name of 5-amino-3-chloro-2-(2-chloroanilino)benzamide (CID 107193224) is 5-amino-3-chloro-2-(2-chloroanilino)benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-(2-chloroanilino)benzamide?
The canonical SMILES for 5-amino-3-chloro-2-(2-chloroanilino)benzamide is NC(=O)c1cc(N)cc(Cl)c1Nc1ccccc1Cl.
What is the InChIKey of 5-amino-3-chloro-2-(2-chloroanilino)benzamide?
The InChIKey is OACLJMRRJHBYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c14-9-3-1-2-4-11(9)18-12-8(13(17)19)5-7(16)6-10(12)15/h1-6,18H,16H2,(H2,17,19).
What are the key properties of 5-amino-3-chloro-2-(2-chloroanilino)benzamide?
5-amino-3-chloro-2-(2-chloroanilino)benzamide has a molecular weight of 296.16 g/mol, XLogP of 3.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-(2-chloroanilino)benzamide is sourced from PubChem (CID 107193224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).