4-[[3-(4-acetyloxyphenyl)benzoyl]amino]benzoate

C22H16NO5- — CID 2329700

IUPAC4-[[3-(4-acetyloxyphenyl)benzoyl]amino]benzoate
SMILESCC(=O)Oc1ccc(-c2cccc(C(=O)Nc3ccc(C(=O)[O-])cc3)c2)cc1
InChIInChI=1S/C22H17NO5/c1-14(24)28-20-11-7-15(8-12-20)17-3-2-4-18(13-17)21(25)23-19-9-5-16(6-10-19)22(26)27/h2-13H,1H3,(H,23,25)(H,26,27)/p-1
InChIKeyPSHRNSXYWBASAY-UHFFFAOYSA-M
MW374.37 g/mol
LogP2.89
Rot. Bonds5

About 4-[[3-(4-acetyloxyphenyl)benzoyl]amino]benzoate

4-[[3-(4-acetyloxyphenyl)benzoyl]amino]benzoate (PubChem CID 2329700) has the molecular formula C22H16NO5- and a molecular weight of 374.37 g/mol. Its IUPAC name is 4-[[3-(4-acetyloxyphenyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Name4-[[3-(4-acetyloxyphenyl)benzoyl]amino]benzoate
PubChem CID2329700
Molecular FormulaC22H16NO5-
Molecular Weight374.37 g/mol
Exact Mass374.10
IUPAC Name4-[[3-(4-acetyloxyphenyl)benzoyl]amino]benzoate
SMILESCC(=O)Oc1ccc(-c2cccc(C(=O)Nc3ccc(C(=O)[O-])cc3)c2)cc1
InChIInChI=1S/C22H17NO5/c1-14(24)28-20-11-7-15(8-12-20)17-3-2-4-18(13-17)21(25)23-19-9-5-16(6-10-19)22(26)27/h2-13H,1H3,(H,23,25)(H,26,27)/p-1
InChIKeyPSHRNSXYWBASAY-UHFFFAOYSA-M
XLogP2.89
TPSA95.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-benzamidophenyl) acetate
CID 34734144
[3-acetyloxy-5-[[4-[4-[(3,5-diacetyloxybenzoyl)amino]phenyl]phenyl]carbamoyl]phenyl] acetate
CID 122548272
N-(4-acetamidophenyl)-3-phenylbenzamide
CID 117092873
[4-[3-(2-hydroxyethylcarbamoyl)phenyl]phenyl] acetate
CID 2274112
N-(4-phenoxyphenyl)-3-phenylbenzamide
CID 117089120
[4-[[4-[(3-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]phenyl] acetate
CID 3881325
4-[[3-[(3-methoxybenzoyl)amino]benzoyl]amino]benzoate
CID 4077385
4-[(3-bromobenzoyl)amino]benzoate
CID 6943789
[3-[[4-(propanoylamino)phenyl]carbamoyl]phenyl] acetate
CID 108927681
[4-[[4-[[4-[(4-acetyloxybenzoyl)amino]phenyl]methyl]phenyl]carbamoyl]phenyl] acetate
CID 10324446
[3-[(4-phenylmethoxyphenyl)carbamoyl]phenyl] acetate
CID 2995401
4-[(4-phenoxybenzoyl)amino]benzoate
CID 6953062

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-acetyloxyphenyl)benzoyl]amino]benzoate?
The IUPAC name of 4-[[3-(4-acetyloxyphenyl)benzoyl]amino]benzoate (CID 2329700) is 4-[[3-(4-acetyloxyphenyl)benzoyl]amino]benzoate.
What is the SMILES notation for 4-[[3-(4-acetyloxyphenyl)benzoyl]amino]benzoate?
The canonical SMILES for 4-[[3-(4-acetyloxyphenyl)benzoyl]amino]benzoate is CC(=O)Oc1ccc(-c2cccc(C(=O)Nc3ccc(C(=O)[O-])cc3)c2)cc1.
What is the InChIKey of 4-[[3-(4-acetyloxyphenyl)benzoyl]amino]benzoate?
The InChIKey is PSHRNSXYWBASAY-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H17NO5/c1-14(24)28-20-11-7-15(8-12-20)17-3-2-4-18(13-17)21(25)23-19-9-5-16(6-10-19)22(26)27/h2-13H,1H3,(H,23,25)(H,26,27)/p-1.
What are the key properties of 4-[[3-(4-acetyloxyphenyl)benzoyl]amino]benzoate?
4-[[3-(4-acetyloxyphenyl)benzoyl]amino]benzoate has a molecular weight of 374.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-acetyloxyphenyl)benzoyl]amino]benzoate is sourced from PubChem (CID 2329700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).