[4-(phenylcarbamoyl)phenyl] benzoate

C20H15NO3 — CID 689937

IUPAC[4-(phenylcarbamoyl)phenyl] benzoate
SMILESO=C(Nc1ccccc1)c1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H15NO3/c22-19(21-17-9-5-2-6-10-17)15-11-13-18(14-12-15)24-20(23)16-7-3-1-4-8-16/h1-14H,(H,21,22)
InChIKeyLJXCXQADFNOJJD-UHFFFAOYSA-N
MW317.34 g/mol
LogP4.16
Rot. Bonds4

About [4-(phenylcarbamoyl)phenyl] benzoate

[4-(phenylcarbamoyl)phenyl] benzoate (PubChem CID 689937) has the molecular formula C20H15NO3 and a molecular weight of 317.34 g/mol. Its IUPAC name is [4-(phenylcarbamoyl)phenyl] benzoate.

Molecular Properties

Compound Name[4-(phenylcarbamoyl)phenyl] benzoate
PubChem CID689937
Molecular FormulaC20H15NO3
Molecular Weight317.34 g/mol
Exact Mass317.11
IUPAC Name[4-(phenylcarbamoyl)phenyl] benzoate
SMILESO=C(Nc1ccccc1)c1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H15NO3/c22-19(21-17-9-5-2-6-10-17)15-11-13-18(14-12-15)24-20(23)16-7-3-1-4-8-16/h1-14H,(H,21,22)
InChIKeyLJXCXQADFNOJJD-UHFFFAOYSA-N
XLogP4.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(phenylcarbamoyl)phenyl] benzoate?
The IUPAC name of [4-(phenylcarbamoyl)phenyl] benzoate (CID 689937) is [4-(phenylcarbamoyl)phenyl] benzoate.
What is the SMILES notation for [4-(phenylcarbamoyl)phenyl] benzoate?
The canonical SMILES for [4-(phenylcarbamoyl)phenyl] benzoate is O=C(Nc1ccccc1)c1ccc(OC(=O)c2ccccc2)cc1.
What is the InChIKey of [4-(phenylcarbamoyl)phenyl] benzoate?
The InChIKey is LJXCXQADFNOJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3/c22-19(21-17-9-5-2-6-10-17)15-11-13-18(14-12-15)24-20(23)16-7-3-1-4-8-16/h1-14H,(H,21,22).
What are the key properties of [4-(phenylcarbamoyl)phenyl] benzoate?
[4-(phenylcarbamoyl)phenyl] benzoate has a molecular weight of 317.34 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(phenylcarbamoyl)phenyl] benzoate is sourced from PubChem (CID 689937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).