3-bromo-5-chloro-N-(6-chloro-3-pyridinyl)benzamide

C12H7BrCl2N2O — CID 113286176

IUPAC3-bromo-5-chloro-N-(6-chloro-3-pyridinyl)benzamide
SMILESO=C(Nc1ccc(Cl)nc1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H7BrCl2N2O/c13-8-3-7(4-9(14)5-8)12(18)17-10-1-2-11(15)16-6-10/h1-6H,(H,17,18)
InChIKeyVSOOTLYBQGSONU-UHFFFAOYSA-N
MW346.01 g/mol
LogP4.40
Rot. Bonds2

About 3-bromo-5-chloro-N-(6-chloro-3-pyridinyl)benzamide

3-bromo-5-chloro-N-(6-chloro-3-pyridinyl)benzamide (PubChem CID 113286176) has the molecular formula C12H7BrCl2N2O and a molecular weight of 346.01 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(6-chloro-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(6-chloro-3-pyridinyl)benzamide
PubChem CID113286176
Molecular FormulaC12H7BrCl2N2O
Molecular Weight346.01 g/mol
Exact Mass343.91
IUPAC Name3-bromo-5-chloro-N-(6-chloro-3-pyridinyl)benzamide
SMILESO=C(Nc1ccc(Cl)nc1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H7BrCl2N2O/c13-8-3-7(4-9(14)5-8)12(18)17-10-1-2-11(15)16-6-10/h1-6H,(H,17,18)
InChIKeyVSOOTLYBQGSONU-UHFFFAOYSA-N
XLogP4.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.01
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-chloro-N-(5-chloropyrazin-2-yl)benzamide
CID 107944218
3-bromo-4-chloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113329917
N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide
CID 103789282
6-bromo-N-(6-chloro-3-pyridinyl)pyridine-3-carboxamide
CID 79420958
3-bromo-5-chloro-N-(4-ethylphenyl)benzamide
CID 107951503
5-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide
CID 78929857
3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzamide
CID 103789803
3-bromo-5-chloro-N-(4-methylsulfanylphenyl)benzamide
CID 107951427
5-[(3-bromo-5-chlorobenzoyl)amino]-2-chlorobenzoic acid
CID 107937795
3-bromo-5-chloro-N-naphthalen-2-ylbenzamide
CID 107951653
N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide
CID 103875090
3-bromo-5-chloro-N-(6-chloropyrimidin-4-yl)benzamide
CID 114049580

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(6-chloro-3-pyridinyl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(6-chloro-3-pyridinyl)benzamide (CID 113286176) is 3-bromo-5-chloro-N-(6-chloro-3-pyridinyl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(6-chloro-3-pyridinyl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(6-chloro-3-pyridinyl)benzamide is O=C(Nc1ccc(Cl)nc1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(6-chloro-3-pyridinyl)benzamide?
The InChIKey is VSOOTLYBQGSONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2N2O/c13-8-3-7(4-9(14)5-8)12(18)17-10-1-2-11(15)16-6-10/h1-6H,(H,17,18).
What are the key properties of 3-bromo-5-chloro-N-(6-chloro-3-pyridinyl)benzamide?
3-bromo-5-chloro-N-(6-chloro-3-pyridinyl)benzamide has a molecular weight of 346.01 g/mol, XLogP of 4.40, 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-(6-chloro-3-pyridinyl)benzamide is sourced from PubChem (CID 113286176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).