N'-(4-chlorobenzoyl)-N-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzohydrazide

C27H24ClN3O5 — CID 3406675

About N'-(4-chlorobenzoyl)-N-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzohydrazide

N'-(4-chlorobenzoyl)-N-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzohydrazide (PubChem CID 3406675) has the molecular formula C27H24ClN3O5 and a molecular weight of 505.96 g/mol. Its IUPAC name is N'-(4-chlorobenzoyl)-N-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzohydrazide.

Molecular Properties

• Compound Name: N'-(4-chlorobenzoyl)-N-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzohydrazide
• PubChem CID: 3406675
• Molecular Formula: C27H24ClN3O5
• Molecular Weight: 505.96 g/mol
• Exact Mass: 505.14
• IUPAC Name: N'-(4-chlorobenzoyl)-N-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzohydrazide
• SMILES: CCc1ccc(N2C(=O)CC(N(NC(=O)c3ccc(Cl)cc3)C(=O)c3ccc(OC)cc3)C2=O)cc1
• InChI: InChI=1S/C27H24ClN3O5/c1-3-17-4-12-21(13-5-17)30-24(32)16-23(27(30)35)31(26(34)19-8-14-22(36-2)15-9-19)29-25(33)18-6-10-20(28)11-7-18/h4-15,23H,3,16H2,1-2H3,(H,29,33)
• InChIKey: CCCUDDKZQBBYSZ-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 96.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.96
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorobenzoyl)-N-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzohydrazide?

The IUPAC name of N'-(4-chlorobenzoyl)-N-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzohydrazide (CID 3406675) is N'-(4-chlorobenzoyl)-N-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzohydrazide.

What is the SMILES notation for N'-(4-chlorobenzoyl)-N-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzohydrazide?

The canonical SMILES for N'-(4-chlorobenzoyl)-N-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzohydrazide is CCc1ccc(N2C(=O)CC(N(NC(=O)c3ccc(Cl)cc3)C(=O)c3ccc(OC)cc3)C2=O)cc1.

What is the InChIKey of N'-(4-chlorobenzoyl)-N-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzohydrazide?

The InChIKey is CCCUDDKZQBBYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN3O5/c1-3-17-4-12-21(13-5-17)30-24(32)16-23(27(30)35)31(26(34)19-8-14-22(36-2)15-9-19)29-25(33)18-6-10-20(28)11-7-18/h4-15,23H,3,16H2,1-2H3,(H,29,33).

What are the key properties of N'-(4-chlorobenzoyl)-N-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzohydrazide?

N'-(4-chlorobenzoyl)-N-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzohydrazide has a molecular weight of 505.96 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(4-chlorobenzoyl)-N-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzohydrazide is sourced from PubChem (CID 3406675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).