N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)acetamide

C13H10BrClN2O — CID 738231

IUPACN-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc(Br)cn1
InChIInChI=1S/C13H10BrClN2O/c14-10-3-6-12(16-8-10)17-13(18)7-9-1-4-11(15)5-2-9/h1-6,8H,7H2,(H,16,17,18)
InChIKeyVPICFGVFRTZCTK-UHFFFAOYSA-N
MW325.59 g/mol
LogP3.68
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)acetamide

N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)acetamide (PubChem CID 738231) has the molecular formula C13H10BrClN2O and a molecular weight of 325.59 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)acetamide
PubChem CID738231
Molecular FormulaC13H10BrClN2O
Molecular Weight325.59 g/mol
Exact Mass323.97
IUPAC NameN-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc(Br)cn1
InChIInChI=1S/C13H10BrClN2O/c14-10-3-6-12(16-8-10)17-13(18)7-9-1-4-11(15)5-2-9/h1-6,8H,7H2,(H,16,17,18)
InChIKeyVPICFGVFRTZCTK-UHFFFAOYSA-N
XLogP3.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.59
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)acetamide (CID 738231) is N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)acetamide is O=C(Cc1ccc(Cl)cc1)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)acetamide?
The InChIKey is VPICFGVFRTZCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O/c14-10-3-6-12(16-8-10)17-13(18)7-9-1-4-11(15)5-2-9/h1-6,8H,7H2,(H,16,17,18).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)acetamide?
N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)acetamide has a molecular weight of 325.59 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 738231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).