[2-(propanoylamino)phenyl] 4-phenylbenzoate

C22H19NO3 — CID 4954825

IUPAC[2-(propanoylamino)phenyl] 4-phenylbenzoate
SMILESCCC(=O)Nc1ccccc1OC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H19NO3/c1-2-21(24)23-19-10-6-7-11-20(19)26-22(25)18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-15H,2H2,1H3,(H,23,24)
InChIKeyNJCBLODPFXDZBF-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.92
Rot. Bonds5

About [2-(propanoylamino)phenyl] 4-phenylbenzoate

[2-(propanoylamino)phenyl] 4-phenylbenzoate (PubChem CID 4954825) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is [2-(propanoylamino)phenyl] 4-phenylbenzoate.

Molecular Properties

Compound Name[2-(propanoylamino)phenyl] 4-phenylbenzoate
PubChem CID4954825
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name[2-(propanoylamino)phenyl] 4-phenylbenzoate
SMILESCCC(=O)Nc1ccccc1OC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H19NO3/c1-2-21(24)23-19-10-6-7-11-20(19)26-22(25)18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-15H,2H2,1H3,(H,23,24)
InChIKeyNJCBLODPFXDZBF-UHFFFAOYSA-N
XLogP4.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.92
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-(propanoylamino)phenyl] 4-tert-butylbenzoate
CID 4954848
[2-(propanoylamino)phenyl] 3-iodo-4-methylbenzoate
CID 4954849
[2-(2-methylbutanoylamino)phenyl] benzoate
CID 59817164
[2-(propanoylamino)phenyl] furan-2-carboxylate
CID 23010896
(2,3-dimethylphenyl) 4-phenylbenzoate
CID 1228166
N-(2-butoxyphenyl)propanamide
CID 15943029
[2-(propanoylamino)phenyl] methanesulfonate
CID 117063581
N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 7919529
5-phenyl-2-(propanoylamino)benzoic acid
CID 155717934
(2-carbamoylphenyl) 4-phenylbenzoate
CID 139568532
[2-[(4-anilino-1-methoxy-1,4-dioxobutan-2-yl)amino]phenyl] 4-fluorobenzoate
CID 17198389
N-(2-acetamidophenyl)propanamide
CID 885895

Frequently Asked Questions

What is the IUPAC name of [2-(propanoylamino)phenyl] 4-phenylbenzoate?
The IUPAC name of [2-(propanoylamino)phenyl] 4-phenylbenzoate (CID 4954825) is [2-(propanoylamino)phenyl] 4-phenylbenzoate.
What is the SMILES notation for [2-(propanoylamino)phenyl] 4-phenylbenzoate?
The canonical SMILES for [2-(propanoylamino)phenyl] 4-phenylbenzoate is CCC(=O)Nc1ccccc1OC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [2-(propanoylamino)phenyl] 4-phenylbenzoate?
The InChIKey is NJCBLODPFXDZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-2-21(24)23-19-10-6-7-11-20(19)26-22(25)18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-15H,2H2,1H3,(H,23,24).
What are the key properties of [2-(propanoylamino)phenyl] 4-phenylbenzoate?
[2-(propanoylamino)phenyl] 4-phenylbenzoate has a molecular weight of 345.40 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(propanoylamino)phenyl] 4-phenylbenzoate is sourced from PubChem (CID 4954825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).