2-bromo-5-chloro-N-(2-chloro-3-pyridinyl)benzamide

C12H7BrCl2N2O — CID 113235199

IUPAC2-bromo-5-chloro-N-(2-chloro-3-pyridinyl)benzamide
SMILESO=C(Nc1cccnc1Cl)c1cc(Cl)ccc1Br
InChIInChI=1S/C12H7BrCl2N2O/c13-9-4-3-7(14)6-8(9)12(18)17-10-2-1-5-16-11(10)15/h1-6H,(H,17,18)
InChIKeyZSYQICFCDDOZCJ-UHFFFAOYSA-N
MW346.01 g/mol
LogP4.40
Rot. Bonds2

About 2-bromo-5-chloro-N-(2-chloro-3-pyridinyl)benzamide

2-bromo-5-chloro-N-(2-chloro-3-pyridinyl)benzamide (PubChem CID 113235199) has the molecular formula C12H7BrCl2N2O and a molecular weight of 346.01 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-(2-chloro-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-(2-chloro-3-pyridinyl)benzamide
PubChem CID113235199
Molecular FormulaC12H7BrCl2N2O
Molecular Weight346.01 g/mol
Exact Mass343.91
IUPAC Name2-bromo-5-chloro-N-(2-chloro-3-pyridinyl)benzamide
SMILESO=C(Nc1cccnc1Cl)c1cc(Cl)ccc1Br
InChIInChI=1S/C12H7BrCl2N2O/c13-9-4-3-7(14)6-8(9)12(18)17-10-2-1-5-16-11(10)15/h1-6H,(H,17,18)
InChIKeyZSYQICFCDDOZCJ-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

2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide
CID 3454315
N-(2-bromo-4-chlorophenyl)-2-chloropyridine-3-carboxamide
CID 81027409
N-(3-amino-2-pyridinyl)-2-bromo-5-chlorobenzamide
CID 114027359
4-chloro-N-(2-chloro-3-pyridinyl)-2-methoxybenzamide
CID 103721934
2-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 4245221
2-bromo-N-(3-bromo-4-pyridinyl)-5-chlorobenzamide
CID 103871194
2-[2-[(2-bromo-5-chlorobenzoyl)amino]phenyl]acetic acid
CID 103803917
2-bromo-5-chloro-N-isoquinolin-8-ylbenzamide
CID 103747527
2-bromo-5-chloro-N-(5-chloro-2-pyridinyl)benzamide
CID 103611566
N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide
CID 81271946
N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide
CID 61375906
2-acetamido-N-(2-chloro-3-pyridinyl)benzamide
CID 13143772

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-(2-chloro-3-pyridinyl)benzamide?
The IUPAC name of 2-bromo-5-chloro-N-(2-chloro-3-pyridinyl)benzamide (CID 113235199) is 2-bromo-5-chloro-N-(2-chloro-3-pyridinyl)benzamide.
What is the SMILES notation for 2-bromo-5-chloro-N-(2-chloro-3-pyridinyl)benzamide?
The canonical SMILES for 2-bromo-5-chloro-N-(2-chloro-3-pyridinyl)benzamide is O=C(Nc1cccnc1Cl)c1cc(Cl)ccc1Br.
What is the InChIKey of 2-bromo-5-chloro-N-(2-chloro-3-pyridinyl)benzamide?
The InChIKey is ZSYQICFCDDOZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2N2O/c13-9-4-3-7(14)6-8(9)12(18)17-10-2-1-5-16-11(10)15/h1-6H,(H,17,18).
What are the key properties of 2-bromo-5-chloro-N-(2-chloro-3-pyridinyl)benzamide?
2-bromo-5-chloro-N-(2-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 2-bromo-5-chloro-N-(2-chloro-3-pyridinyl)benzamide is sourced from PubChem (CID 113235199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).