4-[[4-(4-methoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-phenylbenzamide

C24H19N3O4 — CID 132564460

IUPAC4-[[4-(4-methoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-phenylbenzamide
SMILESCOc1ccc(C2=C(Nc3ccc(C(=O)Nc4ccccc4)cc3)C(=O)NC2=O)cc1
InChIInChI=1S/C24H19N3O4/c1-31-19-13-9-15(10-14-19)20-21(24(30)27-23(20)29)25-18-11-7-16(8-12-18)22(28)26-17-5-3-2-4-6-17/h2-14H,1H3,(H,26,28)(H2,25,27,29,30)
InChIKeyBRXJJZRDUWNVPK-UHFFFAOYSA-N
MW413.43 g/mol
LogP3.43
Rot. Bonds6

About 4-[[4-(4-methoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-phenylbenzamide

4-[[4-(4-methoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-phenylbenzamide (PubChem CID 132564460) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is 4-[[4-(4-methoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[[4-(4-methoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-phenylbenzamide
PubChem CID132564460
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC Name4-[[4-(4-methoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-phenylbenzamide
SMILESCOc1ccc(C2=C(Nc3ccc(C(=O)Nc4ccccc4)cc3)C(=O)NC2=O)cc1
InChIInChI=1S/C24H19N3O4/c1-31-19-13-9-15(10-14-19)20-21(24(30)27-23(20)29)25-18-11-7-16(8-12-18)22(28)26-17-5-3-2-4-6-17/h2-14H,1H3,(H,26,28)(H2,25,27,29,30)
InChIKeyBRXJJZRDUWNVPK-UHFFFAOYSA-N
XLogP3.43
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[[4-(4-methoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-phenylbenzamide 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

N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide
CID 112988363
2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-1H-indole-5-carboxamide
CID 10389580
N-(6-anilinopyridazin-3-yl)-4-methoxybenzamide
CID 113045480
N-(4-anilinophenyl)-4-phenylbenzamide
CID 3363408
4-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9083996
2-deuterio-4-methoxy-N-phenylbenzamide
CID 141045741
benzhydryl 4-[(4-methoxybenzoyl)amino]benzoate
CID 126182220
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
N-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829238
N-[4-(4-anilino-2,5-dioxo-1-phenylpyrrol-3-yl)sulfanylphenyl]-4-methoxybenzamide
CID 83275041
N-(4-anilinophenyl)-4-propoxybenzamide
CID 4938354

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-phenylbenzamide?
The IUPAC name of 4-[[4-(4-methoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-phenylbenzamide (CID 132564460) is 4-[[4-(4-methoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-phenylbenzamide.
What is the SMILES notation for 4-[[4-(4-methoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-phenylbenzamide?
The canonical SMILES for 4-[[4-(4-methoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-phenylbenzamide is COc1ccc(C2=C(Nc3ccc(C(=O)Nc4ccccc4)cc3)C(=O)NC2=O)cc1.
What is the InChIKey of 4-[[4-(4-methoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-phenylbenzamide?
The InChIKey is BRXJJZRDUWNVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4/c1-31-19-13-9-15(10-14-19)20-21(24(30)27-23(20)29)25-18-11-7-16(8-12-18)22(28)26-17-5-3-2-4-6-17/h2-14H,1H3,(H,26,28)(H2,25,27,29,30).
What are the key properties of 4-[[4-(4-methoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-phenylbenzamide?
4-[[4-(4-methoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-phenylbenzamide has a molecular weight of 413.43 g/mol, XLogP of 3.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-phenylbenzamide is sourced from PubChem (CID 132564460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).