4-(5-chloro-2-phenyl-3-pyridinyl)benzamide

C18H13ClN2O — CID 11594729

IUPAC4-(5-chloro-2-phenyl-3-pyridinyl)benzamide
SMILESNC(=O)c1ccc(-c2cc(Cl)cnc2-c2ccccc2)cc1
InChIInChI=1S/C18H13ClN2O/c19-15-10-16(12-6-8-14(9-7-12)18(20)22)17(21-11-15)13-4-2-1-3-5-13/h1-11H,(H2,20,22)
InChIKeyLJJXNQPOCBUTNY-UHFFFAOYSA-N
MW308.77 g/mol
LogP4.17
Rot. Bonds3

About 4-(5-chloro-2-phenyl-3-pyridinyl)benzamide

4-(5-chloro-2-phenyl-3-pyridinyl)benzamide (PubChem CID 11594729) has the molecular formula C18H13ClN2O and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-(5-chloro-2-phenyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-(5-chloro-2-phenyl-3-pyridinyl)benzamide
PubChem CID11594729
Molecular FormulaC18H13ClN2O
Molecular Weight308.77 g/mol
Exact Mass308.07
IUPAC Name4-(5-chloro-2-phenyl-3-pyridinyl)benzamide
SMILESNC(=O)c1ccc(-c2cc(Cl)cnc2-c2ccccc2)cc1
InChIInChI=1S/C18H13ClN2O/c19-15-10-16(12-6-8-14(9-7-12)18(20)22)17(21-11-15)13-4-2-1-3-5-13/h1-11H,(H2,20,22)
InChIKeyLJJXNQPOCBUTNY-UHFFFAOYSA-N
XLogP4.17
TPSA55.98 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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-phenyl-3-pyridinyl)benzamide?
The IUPAC name of 4-(5-chloro-2-phenyl-3-pyridinyl)benzamide (CID 11594729) is 4-(5-chloro-2-phenyl-3-pyridinyl)benzamide.
What is the SMILES notation for 4-(5-chloro-2-phenyl-3-pyridinyl)benzamide?
The canonical SMILES for 4-(5-chloro-2-phenyl-3-pyridinyl)benzamide is NC(=O)c1ccc(-c2cc(Cl)cnc2-c2ccccc2)cc1.
What is the InChIKey of 4-(5-chloro-2-phenyl-3-pyridinyl)benzamide?
The InChIKey is LJJXNQPOCBUTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O/c19-15-10-16(12-6-8-14(9-7-12)18(20)22)17(21-11-15)13-4-2-1-3-5-13/h1-11H,(H2,20,22).
What are the key properties of 4-(5-chloro-2-phenyl-3-pyridinyl)benzamide?
4-(5-chloro-2-phenyl-3-pyridinyl)benzamide has a molecular weight of 308.77 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-phenyl-3-pyridinyl)benzamide is sourced from PubChem (CID 11594729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).