(4-benzamidophenyl) benzoate

C20H15NO3 — CID 569583

IUPAC(4-benzamidophenyl) benzoate
SMILESO=C(Nc1ccc(OC(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C20H15NO3/c22-19(15-7-3-1-4-8-15)21-17-11-13-18(14-12-17)24-20(23)16-9-5-2-6-10-16/h1-14H,(H,21,22)
InChIKeyGDZHBHHTCMWMJP-UHFFFAOYSA-N
MW317.34 g/mol
LogP4.16
Rot. Bonds4

About (4-benzamidophenyl) benzoate

(4-benzamidophenyl) benzoate (PubChem CID 569583) has the molecular formula C20H15NO3 and a molecular weight of 317.34 g/mol. Its IUPAC name is (4-benzamidophenyl) benzoate.

Molecular Properties

Compound Name(4-benzamidophenyl) benzoate
PubChem CID569583
Molecular FormulaC20H15NO3
Molecular Weight317.34 g/mol
Exact Mass317.11
IUPAC Name(4-benzamidophenyl) benzoate
SMILESO=C(Nc1ccc(OC(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C20H15NO3/c22-19(15-7-3-1-4-8-15)21-17-11-13-18(14-12-17)24-20(23)16-9-5-2-6-10-16/h1-14H,(H,21,22)
InChIKeyGDZHBHHTCMWMJP-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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Related Compounds

(4-benzamidophenyl) 4-carbamoylbenzoate
CID 35623223
(4-benzamidophenyl) 4-methylsulfinylbenzoate
CID 51182394
(4-benzamidophenyl) acetate
CID 34734144
(4-methylphenyl) 4-[(4-methylbenzoyl)amino]benzoate
CID 71408981
[4-(4-anilinoanilino)phenyl] benzoate
CID 19763264
(4-phenoxycarbonyloxyphenyl) 3-[(4-phenoxycarbonyloxybenzoyl)amino]-5-[(4-phenoxycarbonyloxyphenyl)carbamoyl]benzoate
CID 118041941
(4-benzamidophenyl) 3-ethoxybenzoate
CID 55883088
[4-[(4-chlorophenyl)carbamoylamino]phenyl] benzoate
CID 155294828
(4-benzamidophenyl) 3-(2,2-dimethylpropanoylamino)benzoate
CID 35189238
(4-benzamidophenyl) 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 26665414
(3,4-dibenzamidophenyl) benzoate
CID 2749917
[4-[[3,5-bis[(4-phenoxycarbonyloxyphenyl)carbamoyl]benzoyl]amino]phenyl] phenyl carbonate
CID 118047320

Frequently Asked Questions

What is the IUPAC name of (4-benzamidophenyl) benzoate?
The IUPAC name of (4-benzamidophenyl) benzoate (CID 569583) is (4-benzamidophenyl) benzoate.
What is the SMILES notation for (4-benzamidophenyl) benzoate?
The canonical SMILES for (4-benzamidophenyl) benzoate is O=C(Nc1ccc(OC(=O)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of (4-benzamidophenyl) benzoate?
The InChIKey is GDZHBHHTCMWMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3/c22-19(15-7-3-1-4-8-15)21-17-11-13-18(14-12-17)24-20(23)16-9-5-2-6-10-16/h1-14H,(H,21,22).
What are the key properties of (4-benzamidophenyl) benzoate?
(4-benzamidophenyl) 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-benzamidophenyl) benzoate is sourced from PubChem (CID 569583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).