N-(5-chloro-2-pyridinyl)-2-phenylbenzamide

C18H13ClN2O — CID 602354

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

About N-(5-chloro-2-pyridinyl)-2-phenylbenzamide

N-(5-chloro-2-pyridinyl)-2-phenylbenzamide (PubChem CID 602354) has the molecular formula C18H13ClN2O and a molecular weight of 308.77 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-phenylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-phenylbenzamide
PubChem CID602354
Molecular FormulaC18H13ClN2O
Molecular Weight308.77 g/mol
Exact Mass308.07
IUPAC NameN-(5-chloro-2-pyridinyl)-2-phenylbenzamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccccc1-c1ccccc1
InChIInChI=1S/C18H13ClN2O/c19-14-10-11-17(20-12-14)21-18(22)16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-12H,(H,20,21,22)
InChIKeyGHAAPEZYBCIPIX-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-chloro-2-pyridinyl)-2-phenylbenzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-phenylbenzamide (CID 602354) is N-(5-chloro-2-pyridinyl)-2-phenylbenzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-phenylbenzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-phenylbenzamide is O=C(Nc1ccc(Cl)cn1)c1ccccc1-c1ccccc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-phenylbenzamide?
The InChIKey is GHAAPEZYBCIPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O/c19-14-10-11-17(20-12-14)21-18(22)16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-12H,(H,20,21,22).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-phenylbenzamide?
N-(5-chloro-2-pyridinyl)-2-phenylbenzamide 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-chloro-2-pyridinyl)-2-phenylbenzamide is sourced from PubChem (CID 602354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).