4-(2,5-dioxopyrrol-1-yl)-N-(phenylcarbamoyl)benzamide

C18H13N3O4 — CID 122370145

IUPAC4-(2,5-dioxopyrrol-1-yl)-N-(phenylcarbamoyl)benzamide
SMILESO=C(NC(=O)c1ccc(N2C(=O)C=CC2=O)cc1)Nc1ccccc1
InChIInChI=1S/C18H13N3O4/c22-15-10-11-16(23)21(15)14-8-6-12(7-9-14)17(24)20-18(25)19-13-4-2-1-3-5-13/h1-11H,(H2,19,20,24,25)
InChIKeyXXWPPEWFSKFHPP-UHFFFAOYSA-N
MW335.32 g/mol
LogP2.08
Rot. Bonds3

About 4-(2,5-dioxopyrrol-1-yl)-N-(phenylcarbamoyl)benzamide

4-(2,5-dioxopyrrol-1-yl)-N-(phenylcarbamoyl)benzamide (PubChem CID 122370145) has the molecular formula C18H13N3O4 and a molecular weight of 335.32 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)-N-(phenylcarbamoyl)benzamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)-N-(phenylcarbamoyl)benzamide
PubChem CID122370145
Molecular FormulaC18H13N3O4
Molecular Weight335.32 g/mol
Exact Mass335.09
IUPAC Name4-(2,5-dioxopyrrol-1-yl)-N-(phenylcarbamoyl)benzamide
SMILESO=C(NC(=O)c1ccc(N2C(=O)C=CC2=O)cc1)Nc1ccccc1
InChIInChI=1S/C18H13N3O4/c22-15-10-11-16(23)21(15)14-8-6-12(7-9-14)17(24)20-18(25)19-13-4-2-1-3-5-13/h1-11H,(H2,19,20,24,25)
InChIKeyXXWPPEWFSKFHPP-UHFFFAOYSA-N
XLogP2.08
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide
CID 1162393
3-[(4-carboxybenzoyl)carbamoylamino]benzoic acid
CID 139741227
N-(2-bromoethyl)-4-(2,5-dioxopyrrol-1-yl)benzamide
CID 118474719
4-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-phenylbenzamide
CID 27903297
4-(2,5-dioxopyrrol-1-yl)-N-[4-[4-[2-[4-[4-[[4-(2,5-dioxopyrrol-1-yl)benzoyl]amino]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzamide
CID 59372685
methane;1-phenylpyrrole-2,5-dione
CID 174935875
N-ethyl-4-(phenylcarbamoylamino)benzamide
CID 17234281
3-(2,5-dioxopyrrol-1-yl)-N-[3-[[3-(2,5-dioxopyrrol-1-yl)benzoyl]amino]phenyl]benzamide
CID 126585620
4-[(1S,2R,6S,7R,8R,9S)-8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-phenylbenzamide
CID 40735718
1-[4-(2-hydroxyacetyl)phenyl]pyrrole-2,5-dione
CID 86218281
N-[(4-ethoxyphenyl)carbamoyl]benzamide
CID 2986057
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
CID 143832330

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-N-(phenylcarbamoyl)benzamide?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-N-(phenylcarbamoyl)benzamide (CID 122370145) is 4-(2,5-dioxopyrrol-1-yl)-N-(phenylcarbamoyl)benzamide.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)-N-(phenylcarbamoyl)benzamide?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)-N-(phenylcarbamoyl)benzamide is O=C(NC(=O)c1ccc(N2C(=O)C=CC2=O)cc1)Nc1ccccc1.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)-N-(phenylcarbamoyl)benzamide?
The InChIKey is XXWPPEWFSKFHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O4/c22-15-10-11-16(23)21(15)14-8-6-12(7-9-14)17(24)20-18(25)19-13-4-2-1-3-5-13/h1-11H,(H2,19,20,24,25).
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)-N-(phenylcarbamoyl)benzamide?
4-(2,5-dioxopyrrol-1-yl)-N-(phenylcarbamoyl)benzamide has a molecular weight of 335.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrol-1-yl)-N-(phenylcarbamoyl)benzamide is sourced from PubChem (CID 122370145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).