2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-5-fluorobenzamide

C13H9BrClFN2O — CID 113250431

IUPAC2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-5-fluorobenzamide
SMILESCc1cc(NC(=O)c2cc(F)ccc2Br)cnc1Cl
InChIInChI=1S/C13H9BrClFN2O/c1-7-4-9(6-17-12(7)15)18-13(19)10-5-8(16)2-3-11(10)14/h2-6H,1H3,(H,18,19)
InChIKeyDJRXZPKQPTYZOJ-UHFFFAOYSA-N
MW343.58 g/mol
LogP4.20
Rot. Bonds2

About 2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-5-fluorobenzamide

2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-5-fluorobenzamide (PubChem CID 113250431) has the molecular formula C13H9BrClFN2O and a molecular weight of 343.58 g/mol. Its IUPAC name is 2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-5-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-5-fluorobenzamide
PubChem CID113250431
Molecular FormulaC13H9BrClFN2O
Molecular Weight343.58 g/mol
Exact Mass341.96
IUPAC Name2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-5-fluorobenzamide
SMILESCc1cc(NC(=O)c2cc(F)ccc2Br)cnc1Cl
InChIInChI=1S/C13H9BrClFN2O/c1-7-4-9(6-17-12(7)15)18-13(19)10-5-8(16)2-3-11(10)14/h2-6H,1H3,(H,18,19)
InChIKeyDJRXZPKQPTYZOJ-UHFFFAOYSA-N
XLogP4.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.58
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-5-fluorobenzamide 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-bromo-5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)benzamide
CID 103745291
4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide
CID 114049068
2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)furan-3-carboxamide
CID 107091817
N-(6-chloro-5-methyl-3-pyridinyl)-2-fluoro-5-methylbenzamide
CID 113250442
5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzamide
CID 103842318
N-(6-chloro-5-methyl-3-pyridinyl)-2-fluoropyridine-3-carboxamide
CID 107363154
N-(6-chloro-5-methyl-3-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 103745275
4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-2-methoxybenzamide
CID 103745322
2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide
CID 104724173
N-(5-bromo-6-chloro-3-pyridinyl)-2,3,4-trifluorobenzamide
CID 104624666
N-(6-chloro-5-methyl-3-pyridinyl)-6-fluoropyridine-3-carboxamide
CID 103745328
2-bromo-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691255

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-5-fluorobenzamide?
The IUPAC name of 2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-5-fluorobenzamide (CID 113250431) is 2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-5-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-5-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-5-fluorobenzamide is Cc1cc(NC(=O)c2cc(F)ccc2Br)cnc1Cl.
What is the InChIKey of 2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-5-fluorobenzamide?
The InChIKey is DJRXZPKQPTYZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFN2O/c1-7-4-9(6-17-12(7)15)18-13(19)10-5-8(16)2-3-11(10)14/h2-6H,1H3,(H,18,19).
What are the key properties of 2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-5-fluorobenzamide?
2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-5-fluorobenzamide has a molecular weight of 343.58 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-5-fluorobenzamide is sourced from PubChem (CID 113250431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).