N-(2-benzoyl-4-chlorophenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide

C27H22ClN3O4 — CID 2706049

About N-(2-benzoyl-4-chlorophenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide

N-(2-benzoyl-4-chlorophenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide (PubChem CID 2706049) has the molecular formula C27H22ClN3O4 and a molecular weight of 487.94 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-benzoyl-4-chlorophenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
• PubChem CID: 2706049
• Molecular Formula: C27H22ClN3O4
• Molecular Weight: 487.94 g/mol
• Exact Mass: 487.13
• IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
• SMILES: O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
• InChI: InChI=1S/C27H22ClN3O4/c28-19-12-13-22(20(15-19)24(33)18-8-2-1-3-9-18)29-23(32)16-31-25(34)27(30-26(31)35)14-6-10-17-7-4-5-11-21(17)27/h1-5,7-9,11-13,15H,6,10,14,16H2,(H,29,32)(H,30,35)/t27-/m0/s1
• InChIKey: BLHAMPQJGOBXFJ-MHZLTWQESA-N
• XLogP: 4.29
• TPSA: 95.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.94
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide?

The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide (CID 2706049) is N-(2-benzoyl-4-chlorophenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide.

What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide?

The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide is O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1.

What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide?

The InChIKey is BLHAMPQJGOBXFJ-MHZLTWQESA-N. The full InChI is InChI=1S/C27H22ClN3O4/c28-19-12-13-22(20(15-19)24(33)18-8-2-1-3-9-18)29-23(32)16-31-25(34)27(30-26(31)35)14-6-10-17-7-4-5-11-21(17)27/h1-5,7-9,11-13,15H,6,10,14,16H2,(H,29,32)(H,30,35)/t27-/m0/s1.

What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide?

N-(2-benzoyl-4-chlorophenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide has a molecular weight of 487.94 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-benzoyl-4-chlorophenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide is sourced from PubChem (CID 2706049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).