ethyl 2-[[2-(2H-isoindol-1-yl)benzoyl]amino]benzoate

C24H20N2O3 — CID 139801143

IUPACethyl 2-[[2-(2H-isoindol-1-yl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccccc1-c1[nH]cc2ccccc12
InChIInChI=1S/C24H20N2O3/c1-2-29-24(28)20-13-7-8-14-21(20)26-23(27)19-12-6-5-11-18(19)22-17-10-4-3-9-16(17)15-25-22/h3-15,25H,2H2,1H3,(H,26,27)
InChIKeyDUYINUMLMVFZLB-UHFFFAOYSA-N
MW384.44 g/mol
LogP5.26
Rot. Bonds5

About ethyl 2-[[2-(2H-isoindol-1-yl)benzoyl]amino]benzoate

ethyl 2-[[2-(2H-isoindol-1-yl)benzoyl]amino]benzoate (PubChem CID 139801143) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is ethyl 2-[[2-(2H-isoindol-1-yl)benzoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(2H-isoindol-1-yl)benzoyl]amino]benzoate
PubChem CID139801143
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Nameethyl 2-[[2-(2H-isoindol-1-yl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccccc1-c1[nH]cc2ccccc12
InChIInChI=1S/C24H20N2O3/c1-2-29-24(28)20-13-7-8-14-21(20)26-23(27)19-12-6-5-11-18(19)22-17-10-4-3-9-16(17)15-25-22/h3-15,25H,2H2,1H3,(H,26,27)
InChIKeyDUYINUMLMVFZLB-UHFFFAOYSA-N
XLogP5.26
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[[2-(2H-isoindol-1-yl)benzoyl]amino]benzoate 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

ethyl 2-[(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)amino]benzoate
CID 51046380
ethyl 2-[(1-oxoisothiochromene-3-carbonyl)amino]benzoate
CID 20896755
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
ethyl 2-(propanoylamino)benzoate
CID 4190428
ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959
ethyl 2-(1,2-thiazole-5-carbonylamino)benzoate
CID 110692261
ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049277
methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108501747
ethyl 2-[(5-oxo-1,2-dihydropyrazole-3-carbonyl)amino]benzoate
CID 110600656
ethyl 2-[(5-bromo-2-methoxybenzoyl)amino]benzoate
CID 110428281
ethyl 2-[(2-oxo-4-phenyl-1H-pyridine-3-carbonyl)amino]benzoate
CID 110651274
ethyl 2-[[4-[(1,3-dioxoisoindol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]benzoate
CID 136854397

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2H-isoindol-1-yl)benzoyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(2H-isoindol-1-yl)benzoyl]amino]benzoate (CID 139801143) is ethyl 2-[[2-(2H-isoindol-1-yl)benzoyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(2H-isoindol-1-yl)benzoyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(2H-isoindol-1-yl)benzoyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1ccccc1-c1[nH]cc2ccccc12.
What is the InChIKey of ethyl 2-[[2-(2H-isoindol-1-yl)benzoyl]amino]benzoate?
The InChIKey is DUYINUMLMVFZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-2-29-24(28)20-13-7-8-14-21(20)26-23(27)19-12-6-5-11-18(19)22-17-10-4-3-9-16(17)15-25-22/h3-15,25H,2H2,1H3,(H,26,27).
What are the key properties of ethyl 2-[[2-(2H-isoindol-1-yl)benzoyl]amino]benzoate?
ethyl 2-[[2-(2H-isoindol-1-yl)benzoyl]amino]benzoate has a molecular weight of 384.44 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2H-isoindol-1-yl)benzoyl]amino]benzoate is sourced from PubChem (CID 139801143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).