(2-carbamoylphenyl) 4-phenylbenzoate

C20H15NO3 — CID 139568532

IUPAC(2-carbamoylphenyl) 4-phenylbenzoate
SMILESNC(=O)c1ccccc1OC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H15NO3/c21-19(22)17-8-4-5-9-18(17)24-20(23)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H2,21,22)
InChIKeyAIDKDGBGDQGFKR-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.67
Rot. Bonds4

About (2-carbamoylphenyl) 4-phenylbenzoate

(2-carbamoylphenyl) 4-phenylbenzoate (PubChem CID 139568532) has the molecular formula C20H15NO3 and a molecular weight of 317.34 g/mol. Its IUPAC name is (2-carbamoylphenyl) 4-phenylbenzoate.

Molecular Properties

Compound Name(2-carbamoylphenyl) 4-phenylbenzoate
PubChem CID139568532
Molecular FormulaC20H15NO3
Molecular Weight317.34 g/mol
Exact Mass317.11
IUPAC Name(2-carbamoylphenyl) 4-phenylbenzoate
SMILESNC(=O)c1ccccc1OC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H15NO3/c21-19(22)17-8-4-5-9-18(17)24-20(23)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H2,21,22)
InChIKeyAIDKDGBGDQGFKR-UHFFFAOYSA-N
XLogP3.67
TPSA69.39 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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-carbamoylphenyl) hydrogen carbonate
CID 91199327
2-[(4-phenylphenyl)methoxy]benzamide
CID 8011325
(2,3-dimethylphenyl) 4-phenylbenzoate
CID 1228166
(2-carbamoylphenyl) quinoline-3-carboxylate
CID 139568537
methyl 2-(4-aminobenzoyl)oxybenzoate
CID 3031786
(2-methylphenyl) 2-benzoyloxybenzoate
CID 21306244
(4-phenylmethoxycarbonylphenyl) 4-phenylbenzoate
CID 19181931
(2,5-dimethylphenyl) 4-phenylbenzoate
CID 1234511
[2-(propanoylamino)phenyl] 4-phenylbenzoate
CID 4954825
(2-carbamoylphenyl) (2S)-2-aminopropanoate
CID 174745717
(4-phenylphenyl)methyl 2-methoxybenzoate
CID 18290046
(3-carbamoyl-2-oxochromen-7-yl) 4-phenylbenzoate
CID 19185997

Frequently Asked Questions

What is the IUPAC name of (2-carbamoylphenyl) 4-phenylbenzoate?
The IUPAC name of (2-carbamoylphenyl) 4-phenylbenzoate (CID 139568532) is (2-carbamoylphenyl) 4-phenylbenzoate.
What is the SMILES notation for (2-carbamoylphenyl) 4-phenylbenzoate?
The canonical SMILES for (2-carbamoylphenyl) 4-phenylbenzoate is NC(=O)c1ccccc1OC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2-carbamoylphenyl) 4-phenylbenzoate?
The InChIKey is AIDKDGBGDQGFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3/c21-19(22)17-8-4-5-9-18(17)24-20(23)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H2,21,22).
What are the key properties of (2-carbamoylphenyl) 4-phenylbenzoate?
(2-carbamoylphenyl) 4-phenylbenzoate has a molecular weight of 317.34 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbamoylphenyl) 4-phenylbenzoate is sourced from PubChem (CID 139568532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).