[2-(2-benzoylanilino)-2-oxoethyl] 2-aminobenzoate

C22H18N2O4 — CID 5155011

IUPAC[2-(2-benzoylanilino)-2-oxoethyl] 2-aminobenzoate
SMILESNc1ccccc1C(=O)OCC(=O)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C22H18N2O4/c23-18-12-6-4-10-16(18)22(27)28-14-20(25)24-19-13-7-5-11-17(19)21(26)15-8-2-1-3-9-15/h1-13H,14,23H2,(H,24,25)
InChIKeyRDEPHKBSYMZNJT-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.30
Rot. Bonds6

About [2-(2-benzoylanilino)-2-oxoethyl] 2-aminobenzoate

[2-(2-benzoylanilino)-2-oxoethyl] 2-aminobenzoate (PubChem CID 5155011) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is [2-(2-benzoylanilino)-2-oxoethyl] 2-aminobenzoate.

Molecular Properties

Compound Name[2-(2-benzoylanilino)-2-oxoethyl] 2-aminobenzoate
PubChem CID5155011
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name[2-(2-benzoylanilino)-2-oxoethyl] 2-aminobenzoate
SMILESNc1ccccc1C(=O)OCC(=O)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C22H18N2O4/c23-18-12-6-4-10-16(18)22(27)28-14-20(25)24-19-13-7-5-11-17(19)21(26)15-8-2-1-3-9-15/h1-13H,14,23H2,(H,24,25)
InChIKeyRDEPHKBSYMZNJT-UHFFFAOYSA-N
XLogP3.30
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-(2-benzoylanilino)-2-oxoethyl] 2-aminobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-benzoylanilino)-2-oxoethyl] 2-bromobenzoate
CID 4664729
[2-(2-benzoylanilino)-2-oxoethyl] 4-methylbenzoate
CID 7695978
[2-(2-benzoylanilino)-2-oxoethyl] 4-fluorobenzoate
CID 4989481
[2-(2-benzoylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 7210429
[2-(2-benzoylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 7766787
[2-(2-benzoylanilino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 2365630
[2-(2-nitroanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 7865591
[2-(2-acetylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2605484
[2-(2-benzoylanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 42969978
[2-(2-fluoroanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 4576263
[2-(2-benzoylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 7844686
N-(2-benzoylphenyl)-2-fluoroacetamide
CID 70589823

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoylanilino)-2-oxoethyl] 2-aminobenzoate?
The IUPAC name of [2-(2-benzoylanilino)-2-oxoethyl] 2-aminobenzoate (CID 5155011) is [2-(2-benzoylanilino)-2-oxoethyl] 2-aminobenzoate.
What is the SMILES notation for [2-(2-benzoylanilino)-2-oxoethyl] 2-aminobenzoate?
The canonical SMILES for [2-(2-benzoylanilino)-2-oxoethyl] 2-aminobenzoate is Nc1ccccc1C(=O)OCC(=O)Nc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of [2-(2-benzoylanilino)-2-oxoethyl] 2-aminobenzoate?
The InChIKey is RDEPHKBSYMZNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c23-18-12-6-4-10-16(18)22(27)28-14-20(25)24-19-13-7-5-11-17(19)21(26)15-8-2-1-3-9-15/h1-13H,14,23H2,(H,24,25).
What are the key properties of [2-(2-benzoylanilino)-2-oxoethyl] 2-aminobenzoate?
[2-(2-benzoylanilino)-2-oxoethyl] 2-aminobenzoate has a molecular weight of 374.40 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzoylanilino)-2-oxoethyl] 2-aminobenzoate is sourced from PubChem (CID 5155011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).