3-(3-chlorophenyl)-2-pyridin-4-ylbenzamide

C18H13ClN2O — CID 67701336

IUPAC3-(3-chlorophenyl)-2-pyridin-4-ylbenzamide
SMILESNC(=O)c1cccc(-c2cccc(Cl)c2)c1-c1ccncc1
InChIInChI=1S/C18H13ClN2O/c19-14-4-1-3-13(11-14)15-5-2-6-16(18(20)22)17(15)12-7-9-21-10-8-12/h1-11H,(H2,20,22)
InChIKeyTZXFSHQHBAPJOX-UHFFFAOYSA-N
MW308.77 g/mol
LogP4.17
Rot. Bonds3

About 3-(3-chlorophenyl)-2-pyridin-4-ylbenzamide

3-(3-chlorophenyl)-2-pyridin-4-ylbenzamide (PubChem CID 67701336) has the molecular formula C18H13ClN2O and a molecular weight of 308.77 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-pyridin-4-ylbenzamide
PubChem CID67701336
Molecular FormulaC18H13ClN2O
Molecular Weight308.77 g/mol
Exact Mass308.07
IUPAC Name3-(3-chlorophenyl)-2-pyridin-4-ylbenzamide
SMILESNC(=O)c1cccc(-c2cccc(Cl)c2)c1-c1ccncc1
InChIInChI=1S/C18H13ClN2O/c19-14-4-1-3-13(11-14)15-5-2-6-16(18(20)22)17(15)12-7-9-21-10-8-12/h1-11H,(H2,20,22)
InChIKeyTZXFSHQHBAPJOX-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 3-(3-chlorophenyl)-2-pyridin-4-ylbenzamide?
The IUPAC name of 3-(3-chlorophenyl)-2-pyridin-4-ylbenzamide (CID 67701336) is 3-(3-chlorophenyl)-2-pyridin-4-ylbenzamide.
What is the SMILES notation for 3-(3-chlorophenyl)-2-pyridin-4-ylbenzamide?
The canonical SMILES for 3-(3-chlorophenyl)-2-pyridin-4-ylbenzamide is NC(=O)c1cccc(-c2cccc(Cl)c2)c1-c1ccncc1.
What is the InChIKey of 3-(3-chlorophenyl)-2-pyridin-4-ylbenzamide?
The InChIKey is TZXFSHQHBAPJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O/c19-14-4-1-3-13(11-14)15-5-2-6-16(18(20)22)17(15)12-7-9-21-10-8-12/h1-11H,(H2,20,22).
What are the key properties of 3-(3-chlorophenyl)-2-pyridin-4-ylbenzamide?
3-(3-chlorophenyl)-2-pyridin-4-ylbenzamide 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 3-(3-chlorophenyl)-2-pyridin-4-ylbenzamide is sourced from PubChem (CID 67701336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).