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

C18H13ClN2O — CID 24949714

IUPAC3-chloro-N-(5-phenyl-2-pyridinyl)benzamide
SMILESO=C(Nc1ccc(-c2ccccc2)cn1)c1cccc(Cl)c1
InChIInChI=1S/C18H13ClN2O/c19-16-8-4-7-14(11-16)18(22)21-17-10-9-15(12-20-17)13-5-2-1-3-6-13/h1-12H,(H,20,21,22)
InChIKeyQIWVNWJRDJKHCW-UHFFFAOYSA-N
MW308.77 g/mol
LogP4.65
Rot. Bonds3

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

3-chloro-N-(5-phenyl-2-pyridinyl)benzamide (PubChem CID 24949714) has the molecular formula C18H13ClN2O and a molecular weight of 308.77 g/mol. Its IUPAC name is 3-chloro-N-(5-phenyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(5-phenyl-2-pyridinyl)benzamide
PubChem CID24949714
Molecular FormulaC18H13ClN2O
Molecular Weight308.77 g/mol
Exact Mass308.07
IUPAC Name3-chloro-N-(5-phenyl-2-pyridinyl)benzamide
SMILESO=C(Nc1ccc(-c2ccccc2)cn1)c1cccc(Cl)c1
InChIInChI=1S/C18H13ClN2O/c19-16-8-4-7-14(11-16)18(22)21-17-10-9-15(12-20-17)13-5-2-1-3-6-13/h1-12H,(H,20,21,22)
InChIKeyQIWVNWJRDJKHCW-UHFFFAOYSA-N
XLogP4.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-phenyl-2-pyridinyl)benzamide?
The IUPAC name of 3-chloro-N-(5-phenyl-2-pyridinyl)benzamide (CID 24949714) is 3-chloro-N-(5-phenyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-chloro-N-(5-phenyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-chloro-N-(5-phenyl-2-pyridinyl)benzamide is O=C(Nc1ccc(-c2ccccc2)cn1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(5-phenyl-2-pyridinyl)benzamide?
The InChIKey is QIWVNWJRDJKHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O/c19-16-8-4-7-14(11-16)18(22)21-17-10-9-15(12-20-17)13-5-2-1-3-6-13/h1-12H,(H,20,21,22).
What are the key properties of 3-chloro-N-(5-phenyl-2-pyridinyl)benzamide?
3-chloro-N-(5-phenyl-2-pyridinyl)benzamide has a molecular weight of 308.77 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-phenyl-2-pyridinyl)benzamide is sourced from PubChem (CID 24949714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).