4-[5-(4-chlorophenyl)-3-pyridinyl]benzamide

C18H13ClN2O — CID 127027293

IUPAC4-[5-(4-chlorophenyl)-3-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2cncc(-c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C18H13ClN2O/c19-17-7-5-13(6-8-17)16-9-15(10-21-11-16)12-1-3-14(4-2-12)18(20)22/h1-11H,(H2,20,22)
InChIKeyZZSBCDINHVSRJC-UHFFFAOYSA-N
MW308.77 g/mol
LogP4.17
Rot. Bonds3

About 4-[5-(4-chlorophenyl)-3-pyridinyl]benzamide

4-[5-(4-chlorophenyl)-3-pyridinyl]benzamide (PubChem CID 127027293) has the molecular formula C18H13ClN2O and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-3-pyridinyl]benzamide
PubChem CID127027293
Molecular FormulaC18H13ClN2O
Molecular Weight308.77 g/mol
Exact Mass308.07
IUPAC Name4-[5-(4-chlorophenyl)-3-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2cncc(-c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C18H13ClN2O/c19-17-7-5-13(6-8-17)16-9-15(10-21-11-16)12-1-3-14(4-2-12)18(20)22/h1-11H,(H2,20,22)
InChIKeyZZSBCDINHVSRJC-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-(4-chlorophenyl)-3-pyridinyl]benzamide?
The IUPAC name of 4-[5-(4-chlorophenyl)-3-pyridinyl]benzamide (CID 127027293) is 4-[5-(4-chlorophenyl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-[5-(4-chlorophenyl)-3-pyridinyl]benzamide is NC(=O)c1ccc(-c2cncc(-c3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-3-pyridinyl]benzamide?
The InChIKey is ZZSBCDINHVSRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O/c19-17-7-5-13(6-8-17)16-9-15(10-21-11-16)12-1-3-14(4-2-12)18(20)22/h1-11H,(H2,20,22).
What are the key properties of 4-[5-(4-chlorophenyl)-3-pyridinyl]benzamide?
4-[5-(4-chlorophenyl)-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-(4-chlorophenyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 127027293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).