3-[[4-chloro-1-(3-chloro-4-fluorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-fluorophenyl)-4-methylbenzamide

C24H15Cl2F2N3O3 — CID 1407792

About 3-[[4-chloro-1-(3-chloro-4-fluorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-fluorophenyl)-4-methylbenzamide

3-[[4-chloro-1-(3-chloro-4-fluorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-fluorophenyl)-4-methylbenzamide (PubChem CID 1407792) has the molecular formula C24H15Cl2F2N3O3 and a molecular weight of 502.30 g/mol. Its IUPAC name is 3-[[4-chloro-1-(3-chloro-4-fluorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-fluorophenyl)-4-methylbenzamide.

Molecular Properties

• Compound Name: 3-[[4-chloro-1-(3-chloro-4-fluorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-fluorophenyl)-4-methylbenzamide
• PubChem CID: 1407792
• Molecular Formula: C24H15Cl2F2N3O3
• Molecular Weight: 502.30 g/mol
• Exact Mass: 501.05
• IUPAC Name: 3-[[4-chloro-1-(3-chloro-4-fluorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-fluorophenyl)-4-methylbenzamide
• SMILES: Cc1ccc(C(=O)Nc2ccccc2F)cc1NC1=C(Cl)C(=O)N(c2ccc(F)c(Cl)c2)C1=O
• InChI: InChI=1S/C24H15Cl2F2N3O3/c1-12-6-7-13(22(32)30-18-5-3-2-4-17(18)28)10-19(12)29-21-20(26)23(33)31(24(21)34)14-8-9-16(27)15(25)11-14/h2-11,29H,1H3,(H,30,32)
• InChIKey: MVCDXGUABCEGPX-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.30
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[4-chloro-1-(3-chloro-4-fluorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-fluorophenyl)-4-methylbenzamide?

The IUPAC name of 3-[[4-chloro-1-(3-chloro-4-fluorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-fluorophenyl)-4-methylbenzamide (CID 1407792) is 3-[[4-chloro-1-(3-chloro-4-fluorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-fluorophenyl)-4-methylbenzamide.

What is the SMILES notation for 3-[[4-chloro-1-(3-chloro-4-fluorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-fluorophenyl)-4-methylbenzamide?

The canonical SMILES for 3-[[4-chloro-1-(3-chloro-4-fluorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-fluorophenyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccccc2F)cc1NC1=C(Cl)C(=O)N(c2ccc(F)c(Cl)c2)C1=O.

What is the InChIKey of 3-[[4-chloro-1-(3-chloro-4-fluorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-fluorophenyl)-4-methylbenzamide?

The InChIKey is MVCDXGUABCEGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl2F2N3O3/c1-12-6-7-13(22(32)30-18-5-3-2-4-17(18)28)10-19(12)29-21-20(26)23(33)31(24(21)34)14-8-9-16(27)15(25)11-14/h2-11,29H,1H3,(H,30,32).

What are the key properties of 3-[[4-chloro-1-(3-chloro-4-fluorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-fluorophenyl)-4-methylbenzamide?

3-[[4-chloro-1-(3-chloro-4-fluorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-fluorophenyl)-4-methylbenzamide has a molecular weight of 502.30 g/mol, XLogP of 5.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-chloro-1-(3-chloro-4-fluorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-fluorophenyl)-4-methylbenzamide is sourced from PubChem (CID 1407792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).