4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]benzoate

C18H13N2O5- — CID 7318599

IUPAC4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]benzoate
SMILESO=C([O-])c1ccc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1
InChIInChI=1S/C18H14N2O5/c21-15-9-10-16(22)20(15)14-7-3-11(4-8-14)17(23)19-13-5-1-12(2-6-13)18(24)25/h1-8H,9-10H2,(H,19,23)(H,24,25)/p-1
InChIKeyGJLJEFQXAUMZLE-UHFFFAOYSA-M
MW337.31 g/mol
LogP0.96
Rot. Bonds4

About 4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]benzoate

4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]benzoate (PubChem CID 7318599) has the molecular formula C18H13N2O5- and a molecular weight of 337.31 g/mol. Its IUPAC name is 4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]benzoate.

Molecular Properties

Compound Name4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]benzoate
PubChem CID7318599
Molecular FormulaC18H13N2O5-
Molecular Weight337.31 g/mol
Exact Mass337.08
IUPAC Name4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]benzoate
SMILESO=C([O-])c1ccc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1
InChIInChI=1S/C18H14N2O5/c21-15-9-10-16(22)20(15)14-7-3-11(4-8-14)17(23)19-13-5-1-12(2-6-13)18(24)25/h1-8H,9-10H2,(H,19,23)(H,24,25)/p-1
InChIKeyGJLJEFQXAUMZLE-UHFFFAOYSA-M
XLogP0.96
TPSA106.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-dioxopyrrolidin-1-yl)-N-[3-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]phenyl]benzamide
CID 18552976
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyrimidin-2-yloxyphenyl)benzamide
CID 55833464
trisodium;4-[[3,5-bis[(4-carboxylatophenyl)carbamoyl]benzoyl]amino]benzoate
CID 144812184
4-(phenylcarbamoyl)benzoate
CID 158012761
potassium 4-[(4-bromobenzoyl)amino]benzoate
CID 144812194
4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55750721
4-(2,5-dioxopyrrolidin-1-yl)-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 18140140
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-nitrophenyl)benzamide
CID 2891364
4-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[4-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]benzamide
CID 98119155
4-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[4-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]benzamide
CID 124775313
N-(5-bromo-2-pyridinyl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 4065398
N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 714768

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]benzoate?
The IUPAC name of 4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]benzoate (CID 7318599) is 4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]benzoate.
What is the SMILES notation for 4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]benzoate?
The canonical SMILES for 4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]benzoate is O=C([O-])c1ccc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1.
What is the InChIKey of 4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]benzoate?
The InChIKey is GJLJEFQXAUMZLE-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H14N2O5/c21-15-9-10-16(22)20(15)14-7-3-11(4-8-14)17(23)19-13-5-1-12(2-6-13)18(24)25/h1-8H,9-10H2,(H,19,23)(H,24,25)/p-1.
What are the key properties of 4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]benzoate?
4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]benzoate has a molecular weight of 337.31 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]benzoate is sourced from PubChem (CID 7318599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).