5-bromo-2-chloro-N-pyridin-2-ylbenzamide

C12H8BrClN2O — CID 774435

IUPAC5-bromo-2-chloro-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H8BrClN2O/c13-8-4-5-10(14)9(7-8)12(17)16-11-3-1-2-6-15-11/h1-7H,(H,15,16,17)
InChIKeyXTZXNWBVYHRSTJ-UHFFFAOYSA-N
MW311.57 g/mol
LogP3.75
Rot. Bonds2

About 5-bromo-2-chloro-N-pyridin-2-ylbenzamide

5-bromo-2-chloro-N-pyridin-2-ylbenzamide (PubChem CID 774435) has the molecular formula C12H8BrClN2O and a molecular weight of 311.57 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-pyridin-2-ylbenzamide
PubChem CID774435
Molecular FormulaC12H8BrClN2O
Molecular Weight311.57 g/mol
Exact Mass309.95
IUPAC Name5-bromo-2-chloro-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H8BrClN2O/c13-8-4-5-10(14)9(7-8)12(17)16-11-3-1-2-6-15-11/h1-7H,(H,15,16,17)
InChIKeyXTZXNWBVYHRSTJ-UHFFFAOYSA-N
XLogP3.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.57
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 23819192
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CID 72717793
4-bromo-N-(5-bromo-2-pyridinyl)-2-chlorobenzamide
CID 61060806
2-(3-bromophenoxy)-N-pyridin-2-ylbenzamide
CID 52668970
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-5-bromo-2-chlorobenzamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-pyridin-2-ylbenzamide?
The IUPAC name of 5-bromo-2-chloro-N-pyridin-2-ylbenzamide (CID 774435) is 5-bromo-2-chloro-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-pyridin-2-ylbenzamide?
The canonical SMILES for 5-bromo-2-chloro-N-pyridin-2-ylbenzamide is O=C(Nc1ccccn1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-pyridin-2-ylbenzamide?
The InChIKey is XTZXNWBVYHRSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O/c13-8-4-5-10(14)9(7-8)12(17)16-11-3-1-2-6-15-11/h1-7H,(H,15,16,17).
What are the key properties of 5-bromo-2-chloro-N-pyridin-2-ylbenzamide?
5-bromo-2-chloro-N-pyridin-2-ylbenzamide has a molecular weight of 311.57 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 774435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).