N-[5-(4-chlorophenyl)-2-pyridinyl]benzamide

C18H13ClN2O — CID 24949255

IUPACN-[5-(4-chlorophenyl)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(-c2ccc(Cl)cc2)cn1)c1ccccc1
InChIInChI=1S/C18H13ClN2O/c19-16-9-6-13(7-10-16)15-8-11-17(20-12-15)21-18(22)14-4-2-1-3-5-14/h1-12H,(H,20,21,22)
InChIKeyVLTWAAOQGXMXDI-UHFFFAOYSA-N
MW308.77 g/mol
LogP4.65
Rot. Bonds3

About N-[5-(4-chlorophenyl)-2-pyridinyl]benzamide

N-[5-(4-chlorophenyl)-2-pyridinyl]benzamide (PubChem CID 24949255) has the molecular formula C18H13ClN2O and a molecular weight of 308.77 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-2-pyridinyl]benzamide
PubChem CID24949255
Molecular FormulaC18H13ClN2O
Molecular Weight308.77 g/mol
Exact Mass308.07
IUPAC NameN-[5-(4-chlorophenyl)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(-c2ccc(Cl)cc2)cn1)c1ccccc1
InChIInChI=1S/C18H13ClN2O/c19-16-9-6-13(7-10-16)15-8-11-17(20-12-15)21-18(22)14-4-2-1-3-5-14/h1-12H,(H,20,21,22)
InChIKeyVLTWAAOQGXMXDI-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 N-[5-(4-chlorophenyl)-2-pyridinyl]benzamide?
The IUPAC name of N-[5-(4-chlorophenyl)-2-pyridinyl]benzamide (CID 24949255) is N-[5-(4-chlorophenyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-2-pyridinyl]benzamide is O=C(Nc1ccc(-c2ccc(Cl)cc2)cn1)c1ccccc1.
What is the InChIKey of N-[5-(4-chlorophenyl)-2-pyridinyl]benzamide?
The InChIKey is VLTWAAOQGXMXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O/c19-16-9-6-13(7-10-16)15-8-11-17(20-12-15)21-18(22)14-4-2-1-3-5-14/h1-12H,(H,20,21,22).
What are the key properties of N-[5-(4-chlorophenyl)-2-pyridinyl]benzamide?
N-[5-(4-chlorophenyl)-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 N-[5-(4-chlorophenyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 24949255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).