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

C21H20ClN3O3 — CID 2706032

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

N-[(2-chlorophenyl)methyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide (PubChem CID 2706032) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
• PubChem CID: 2706032
• Molecular Formula: C21H20ClN3O3
• Molecular Weight: 397.86 g/mol
• Exact Mass: 397.12
• IUPAC Name: N-[(2-chlorophenyl)methyl]-2-[(4R)-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)NCc1ccccc1Cl
• InChI: InChI=1S/C21H20ClN3O3/c22-17-10-4-2-7-15(17)12-23-18(26)13-25-19(27)21(24-20(25)28)11-5-8-14-6-1-3-9-16(14)21/h1-4,6-7,9-10H,5,8,11-13H2,(H,23,26)(H,24,28)/t21-/m1/s1
• InChIKey: XBXMQDIZQNWLDI-OAQYLSRUSA-N
• XLogP: 2.74
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.86
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide (CID 2706032) is N-[(2-chlorophenyl)methyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide.

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

The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[(4R)-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)NCc1ccccc1Cl.

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

The InChIKey is XBXMQDIZQNWLDI-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c22-17-10-4-2-7-15(17)12-23-18(26)13-25-19(27)21(24-20(25)28)11-5-8-14-6-1-3-9-16(14)21/h1-4,6-7,9-10H,5,8,11-13H2,(H,23,26)(H,24,28)/t21-/m1/s1.

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

N-[(2-chlorophenyl)methyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide has a molecular weight of 397.86 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide is sourced from PubChem (CID 2706032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).