3-bromo-5-chloro-N-(3-fluoro-4-pyridinyl)benzamide

C12H7BrClFN2O — CID 113343068

IUPAC3-bromo-5-chloro-N-(3-fluoro-4-pyridinyl)benzamide
SMILESO=C(Nc1ccncc1F)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H7BrClFN2O/c13-8-3-7(4-9(14)5-8)12(18)17-11-1-2-16-6-10(11)15/h1-6H,(H,16,17,18)
InChIKeyISPMIJSNMRPNKR-UHFFFAOYSA-N
MW329.56 g/mol
LogP3.89
Rot. Bonds2

About 3-bromo-5-chloro-N-(3-fluoro-4-pyridinyl)benzamide

3-bromo-5-chloro-N-(3-fluoro-4-pyridinyl)benzamide (PubChem CID 113343068) has the molecular formula C12H7BrClFN2O and a molecular weight of 329.56 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(3-fluoro-4-pyridinyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(3-fluoro-4-pyridinyl)benzamide
PubChem CID113343068
Molecular FormulaC12H7BrClFN2O
Molecular Weight329.56 g/mol
Exact Mass327.94
IUPAC Name3-bromo-5-chloro-N-(3-fluoro-4-pyridinyl)benzamide
SMILESO=C(Nc1ccncc1F)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H7BrClFN2O/c13-8-3-7(4-9(14)5-8)12(18)17-11-1-2-16-6-10(11)15/h1-6H,(H,16,17,18)
InChIKeyISPMIJSNMRPNKR-UHFFFAOYSA-N
XLogP3.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.56
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-5-chloro-N-(3-fluoro-4-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

2,6-dichloro-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide
CID 113342448
4-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide
CID 103871197
3-bromo-5-chloro-N-(2-fluoro-5-methylphenyl)benzamide
CID 107951534
6-bromo-N-(3-fluoro-4-pyridinyl)pyridine-3-carboxamide
CID 103874439
3-bromo-5-chloro-N-(2-fluoro-4-nitrophenyl)benzamide
CID 103827004
2-chloro-6-(ethylamino)-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide
CID 107595523
5-bromo-N-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 7961320
4-(bromomethyl)-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594820
3-bromo-5-chloro-N-(2-fluoro-5-nitrophenyl)benzamide
CID 103826554
3-bromo-N-(5-bromo-2-chlorophenyl)-5-chlorobenzamide
CID 107939178
N-(3-bromo-4-pyridinyl)-4-chloro-3-fluorobenzamide
CID 113343605
5-chloro-N-(3-fluoro-4-pyridinyl)-6-(methylamino)pyridine-3-carboxamide
CID 107595440

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(3-fluoro-4-pyridinyl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(3-fluoro-4-pyridinyl)benzamide (CID 113343068) is 3-bromo-5-chloro-N-(3-fluoro-4-pyridinyl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(3-fluoro-4-pyridinyl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(3-fluoro-4-pyridinyl)benzamide is O=C(Nc1ccncc1F)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(3-fluoro-4-pyridinyl)benzamide?
The InChIKey is ISPMIJSNMRPNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClFN2O/c13-8-3-7(4-9(14)5-8)12(18)17-11-1-2-16-6-10(11)15/h1-6H,(H,16,17,18).
What are the key properties of 3-bromo-5-chloro-N-(3-fluoro-4-pyridinyl)benzamide?
3-bromo-5-chloro-N-(3-fluoro-4-pyridinyl)benzamide has a molecular weight of 329.56 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(3-fluoro-4-pyridinyl)benzamide is sourced from PubChem (CID 113343068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).