4-phenylbenzamide

C13H11NO — CID 602506

IUPAC4-phenylbenzamide
SMILESNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H11NO/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,14,15)
InChIKeyLUQVCHRDAGWYMG-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.45
Rot. Bonds2

About 4-phenylbenzamide

4-phenylbenzamide (PubChem CID 602506) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-phenylbenzamide.

Molecular Properties

Compound Name4-phenylbenzamide
PubChem CID602506
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name4-phenylbenzamide
SMILESNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H11NO/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,14,15)
InChIKeyLUQVCHRDAGWYMG-UHFFFAOYSA-N
XLogP2.45
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-phenylbenzamide?
The IUPAC name of 4-phenylbenzamide (CID 602506) is 4-phenylbenzamide.
What is the SMILES notation for 4-phenylbenzamide?
The canonical SMILES for 4-phenylbenzamide is NC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenylbenzamide?
The InChIKey is LUQVCHRDAGWYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,14,15).
What are the key properties of 4-phenylbenzamide?
4-phenylbenzamide has a molecular weight of 197.24 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylbenzamide is sourced from PubChem (CID 602506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).