N-(2-chloro-5-methylphenyl)-2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-3-oxo-3-(1-phenylindazol-3-yl)propanamide

C28H24ClN5O5 — CID 23562173

About N-(2-chloro-5-methylphenyl)-2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-3-oxo-3-(1-phenylindazol-3-yl)propanamide

N-(2-chloro-5-methylphenyl)-2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-3-oxo-3-(1-phenylindazol-3-yl)propanamide (PubChem CID 23562173) has the molecular formula C28H24ClN5O5 and a molecular weight of 545.98 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)-2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-3-oxo-3-(1-phenylindazol-3-yl)propanamide.

Molecular Properties

• Compound Name: N-(2-chloro-5-methylphenyl)-2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-3-oxo-3-(1-phenylindazol-3-yl)propanamide
• PubChem CID: 23562173
• Molecular Formula: C28H24ClN5O5
• Molecular Weight: 545.98 g/mol
• Exact Mass: 545.15
• IUPAC Name: N-(2-chloro-5-methylphenyl)-2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-3-oxo-3-(1-phenylindazol-3-yl)propanamide
• SMILES: COC1C(=O)N(C(C(=O)Nc2cc(C)ccc2Cl)C(=O)c2nn(-c3ccccc3)c3ccccc23)C(=O)N1C
• InChI: InChI=1S/C28H24ClN5O5/c1-16-13-14-19(29)20(15-16)30-25(36)23(33-26(37)27(39-3)32(2)28(33)38)24(35)22-18-11-7-8-12-21(18)34(31-22)17-9-5-4-6-10-17/h4-15,23,27H,1-3H3,(H,30,36)
• InChIKey: ROXWUEPFXSISHC-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 113.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.98
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)-2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-3-oxo-3-(1-phenylindazol-3-yl)propanamide?

The IUPAC name of N-(2-chloro-5-methylphenyl)-2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-3-oxo-3-(1-phenylindazol-3-yl)propanamide (CID 23562173) is N-(2-chloro-5-methylphenyl)-2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-3-oxo-3-(1-phenylindazol-3-yl)propanamide.

What is the SMILES notation for N-(2-chloro-5-methylphenyl)-2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-3-oxo-3-(1-phenylindazol-3-yl)propanamide?

The canonical SMILES for N-(2-chloro-5-methylphenyl)-2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-3-oxo-3-(1-phenylindazol-3-yl)propanamide is COC1C(=O)N(C(C(=O)Nc2cc(C)ccc2Cl)C(=O)c2nn(-c3ccccc3)c3ccccc23)C(=O)N1C.

What is the InChIKey of N-(2-chloro-5-methylphenyl)-2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-3-oxo-3-(1-phenylindazol-3-yl)propanamide?

The InChIKey is ROXWUEPFXSISHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN5O5/c1-16-13-14-19(29)20(15-16)30-25(36)23(33-26(37)27(39-3)32(2)28(33)38)24(35)22-18-11-7-8-12-21(18)34(31-22)17-9-5-4-6-10-17/h4-15,23,27H,1-3H3,(H,30,36).

What are the key properties of N-(2-chloro-5-methylphenyl)-2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-3-oxo-3-(1-phenylindazol-3-yl)propanamide?

N-(2-chloro-5-methylphenyl)-2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-3-oxo-3-(1-phenylindazol-3-yl)propanamide has a molecular weight of 545.98 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-5-methylphenyl)-2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-3-oxo-3-(1-phenylindazol-3-yl)propanamide is sourced from PubChem (CID 23562173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).