2-bromo-N-(3-bromo-4-pyridinyl)-5-chlorobenzamide

C12H7Br2ClN2O — CID 103871194

IUPAC2-bromo-N-(3-bromo-4-pyridinyl)-5-chlorobenzamide
SMILESO=C(Nc1ccncc1Br)c1cc(Cl)ccc1Br
InChIInChI=1S/C12H7Br2ClN2O/c13-9-2-1-7(15)5-8(9)12(18)17-11-3-4-16-6-10(11)14/h1-6H,(H,16,17,18)
InChIKeyGWJBOCIZYCYFPC-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.51
Rot. Bonds2

About 2-bromo-N-(3-bromo-4-pyridinyl)-5-chlorobenzamide

2-bromo-N-(3-bromo-4-pyridinyl)-5-chlorobenzamide (PubChem CID 103871194) has the molecular formula C12H7Br2ClN2O and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-bromo-N-(3-bromo-4-pyridinyl)-5-chlorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(3-bromo-4-pyridinyl)-5-chlorobenzamide
PubChem CID103871194
Molecular FormulaC12H7Br2ClN2O
Molecular Weight390.46 g/mol
Exact Mass387.86
IUPAC Name2-bromo-N-(3-bromo-4-pyridinyl)-5-chlorobenzamide
SMILESO=C(Nc1ccncc1Br)c1cc(Cl)ccc1Br
InChIInChI=1S/C12H7Br2ClN2O/c13-9-2-1-7(15)5-8(9)12(18)17-11-3-4-16-6-10(11)14/h1-6H,(H,16,17,18)
InChIKeyGWJBOCIZYCYFPC-UHFFFAOYSA-N
XLogP4.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-chlorophenyl)-4-chloropyridine-3-carboxamide
CID 81263935
2-bromo-5-chloro-N-isoquinolin-8-ylbenzamide
CID 103747527
N-(3-bromo-4-pyridinyl)-2,4-dichloro-5-fluorobenzamide
CID 75390644
N-(2-bromo-4-chlorophenyl)-3-fluoropyridine-4-carboxamide
CID 81024129
N-(3-bromo-4-pyridinyl)-2-chlorofuran-3-carboxamide
CID 106685097
2-bromo-5-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 113235199
N-(2-bromo-5-chlorophenyl)pyridine-4-carboxamide
CID 81272185
2-bromo-5-chloro-N-(5-chloro-2-pyridinyl)benzamide
CID 103611566
N-(3-bromo-4-pyridinyl)-4-chloro-3-fluorobenzamide
CID 113343605
2-bromo-N-(2-bromo-5-chlorophenyl)-5-methylbenzamide
CID 81270262
N-(3-bromo-4-pyridinyl)-6-chloropyrazine-2-carboxamide
CID 106551588
2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4-pyridinyl]benzamide
CID 23828920

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-bromo-4-pyridinyl)-5-chlorobenzamide?
The IUPAC name of 2-bromo-N-(3-bromo-4-pyridinyl)-5-chlorobenzamide (CID 103871194) is 2-bromo-N-(3-bromo-4-pyridinyl)-5-chlorobenzamide.
What is the SMILES notation for 2-bromo-N-(3-bromo-4-pyridinyl)-5-chlorobenzamide?
The canonical SMILES for 2-bromo-N-(3-bromo-4-pyridinyl)-5-chlorobenzamide is O=C(Nc1ccncc1Br)c1cc(Cl)ccc1Br.
What is the InChIKey of 2-bromo-N-(3-bromo-4-pyridinyl)-5-chlorobenzamide?
The InChIKey is GWJBOCIZYCYFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2ClN2O/c13-9-2-1-7(15)5-8(9)12(18)17-11-3-4-16-6-10(11)14/h1-6H,(H,16,17,18).
What are the key properties of 2-bromo-N-(3-bromo-4-pyridinyl)-5-chlorobenzamide?
2-bromo-N-(3-bromo-4-pyridinyl)-5-chlorobenzamide has a molecular weight of 390.46 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-bromo-4-pyridinyl)-5-chlorobenzamide is sourced from PubChem (CID 103871194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).