[4-[(3-benzoylphenyl)carbamoyl]phenyl] propanoate

C23H19NO4 — CID 2204351

IUPAC[4-[(3-benzoylphenyl)carbamoyl]phenyl] propanoate
SMILESCCC(=O)Oc1ccc(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C23H19NO4/c1-2-21(25)28-20-13-11-17(12-14-20)23(27)24-19-10-6-9-18(15-19)22(26)16-7-4-3-5-8-16/h3-15H,2H2,1H3,(H,24,27)
InChIKeyJSVITRVLLZWQBV-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.49
Rot. Bonds6

About [4-[(3-benzoylphenyl)carbamoyl]phenyl] propanoate

[4-[(3-benzoylphenyl)carbamoyl]phenyl] propanoate (PubChem CID 2204351) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is [4-[(3-benzoylphenyl)carbamoyl]phenyl] propanoate.

Molecular Properties

Compound Name[4-[(3-benzoylphenyl)carbamoyl]phenyl] propanoate
PubChem CID2204351
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name[4-[(3-benzoylphenyl)carbamoyl]phenyl] propanoate
SMILESCCC(=O)Oc1ccc(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C23H19NO4/c1-2-21(25)28-20-13-11-17(12-14-20)23(27)24-19-10-6-9-18(15-19)22(26)16-7-4-3-5-8-16/h3-15H,2H2,1H3,(H,24,27)
InChIKeyJSVITRVLLZWQBV-UHFFFAOYSA-N
XLogP4.49
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(3-benzoylphenyl)carbamoyl]phenyl] propanoate?
The IUPAC name of [4-[(3-benzoylphenyl)carbamoyl]phenyl] propanoate (CID 2204351) is [4-[(3-benzoylphenyl)carbamoyl]phenyl] propanoate.
What is the SMILES notation for [4-[(3-benzoylphenyl)carbamoyl]phenyl] propanoate?
The canonical SMILES for [4-[(3-benzoylphenyl)carbamoyl]phenyl] propanoate is CCC(=O)Oc1ccc(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)cc1.
What is the InChIKey of [4-[(3-benzoylphenyl)carbamoyl]phenyl] propanoate?
The InChIKey is JSVITRVLLZWQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c1-2-21(25)28-20-13-11-17(12-14-20)23(27)24-19-10-6-9-18(15-19)22(26)16-7-4-3-5-8-16/h3-15H,2H2,1H3,(H,24,27).
What are the key properties of [4-[(3-benzoylphenyl)carbamoyl]phenyl] propanoate?
[4-[(3-benzoylphenyl)carbamoyl]phenyl] propanoate has a molecular weight of 373.41 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-benzoylphenyl)carbamoyl]phenyl] propanoate is sourced from PubChem (CID 2204351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).