4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzamide

C13H11BrClN3O — CID 65490876

IUPAC4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzamide
SMILESCc1ccnc(Cl)c1NC(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C13H11BrClN3O/c1-7-4-5-17-12(15)11(7)18-13(19)8-2-3-10(16)9(14)6-8/h2-6H,16H2,1H3,(H,18,19)
InChIKeyYGHVWCFKOUVGBB-UHFFFAOYSA-N
MW340.61 g/mol
LogP3.64
Rot. Bonds2

About 4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzamide

4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzamide (PubChem CID 65490876) has the molecular formula C13H11BrClN3O and a molecular weight of 340.61 g/mol. Its IUPAC name is 4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzamide
PubChem CID65490876
Molecular FormulaC13H11BrClN3O
Molecular Weight340.61 g/mol
Exact Mass338.98
IUPAC Name4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzamide
SMILESCc1ccnc(Cl)c1NC(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C13H11BrClN3O/c1-7-4-5-17-12(15)11(7)18-13(19)8-2-3-10(16)9(14)6-8/h2-6H,16H2,1H3,(H,18,19)
InChIKeyYGHVWCFKOUVGBB-UHFFFAOYSA-N
XLogP3.64
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.61
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)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

3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzamide
CID 114020013
4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-methoxybenzamide
CID 104783024
3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-5-methylbenzamide
CID 104852796
4-(chloromethyl)-N-(2-chloro-4-methyl-3-pyridinyl)benzamide
CID 65489874
4-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-3-nitrobenzamide
CID 65490473
3-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-4-nitrobenzamide
CID 82776473
N-(2-chloro-4-methyl-3-pyridinyl)-1H-indole-6-carboxamide
CID 65490101
4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-fluorobenzamide
CID 65490063
5-bromo-2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 65491463
N-(2-chloro-4-methyl-3-pyridinyl)-4-fluoro-3-nitrobenzamide
CID 65489283
(2-chloro-4-methyl-3-pyridinyl)carbamic acid
CID 88545589
4-amino-3-methyl-N-(2,4,6-tribromophenyl)benzamide
CID 28991635

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzamide?
The IUPAC name of 4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzamide (CID 65490876) is 4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for 4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzamide?
The canonical SMILES for 4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzamide is Cc1ccnc(Cl)c1NC(=O)c1ccc(N)c(Br)c1.
What is the InChIKey of 4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzamide?
The InChIKey is YGHVWCFKOUVGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3O/c1-7-4-5-17-12(15)11(7)18-13(19)8-2-3-10(16)9(14)6-8/h2-6H,16H2,1H3,(H,18,19).
What are the key properties of 4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzamide?
4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzamide has a molecular weight of 340.61 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 65490876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).