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

C12H8BrClN2O — CID 939540

IUPAC4-bromo-N-(3-chloro-2-pyridinyl)benzamide
SMILESO=C(Nc1ncccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C12H8BrClN2O/c13-9-5-3-8(4-6-9)12(17)16-11-10(14)2-1-7-15-11/h1-7H,(H,15,16,17)
InChIKeyBTNHOPDFHAVHTO-UHFFFAOYSA-N
MW311.57 g/mol
LogP3.75
Rot. Bonds2

About 4-bromo-N-(3-chloro-2-pyridinyl)benzamide

4-bromo-N-(3-chloro-2-pyridinyl)benzamide (PubChem CID 939540) has the molecular formula C12H8BrClN2O and a molecular weight of 311.57 g/mol. Its IUPAC name is 4-bromo-N-(3-chloro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(3-chloro-2-pyridinyl)benzamide
PubChem CID939540
Molecular FormulaC12H8BrClN2O
Molecular Weight311.57 g/mol
Exact Mass309.95
IUPAC Name4-bromo-N-(3-chloro-2-pyridinyl)benzamide
SMILESO=C(Nc1ncccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C12H8BrClN2O/c13-9-5-3-8(4-6-9)12(17)16-11-10(14)2-1-7-15-11/h1-7H,(H,15,16,17)
InChIKeyBTNHOPDFHAVHTO-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-chloro-2-pyridinyl)benzamide?
The IUPAC name of 4-bromo-N-(3-chloro-2-pyridinyl)benzamide (CID 939540) is 4-bromo-N-(3-chloro-2-pyridinyl)benzamide.
What is the SMILES notation for 4-bromo-N-(3-chloro-2-pyridinyl)benzamide?
The canonical SMILES for 4-bromo-N-(3-chloro-2-pyridinyl)benzamide is O=C(Nc1ncccc1Cl)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(3-chloro-2-pyridinyl)benzamide?
The InChIKey is BTNHOPDFHAVHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O/c13-9-5-3-8(4-6-9)12(17)16-11-10(14)2-1-7-15-11/h1-7H,(H,15,16,17).
What are the key properties of 4-bromo-N-(3-chloro-2-pyridinyl)benzamide?
4-bromo-N-(3-chloro-2-pyridinyl)benzamide 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 4-bromo-N-(3-chloro-2-pyridinyl)benzamide is sourced from PubChem (CID 939540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).