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

C21H20ClN3O3 — CID 7916507

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

(2S)-N-(3-chlorophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]propanamide (PubChem CID 7916507) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is (2S)-N-(3-chlorophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]propanamide.

Molecular Properties

• Compound Name: (2S)-N-(3-chlorophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]propanamide
• PubChem CID: 7916507
• Molecular Formula: C21H20ClN3O3
• Molecular Weight: 397.86 g/mol
• Exact Mass: 397.12
• IUPAC Name: (2S)-N-(3-chlorophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]propanamide
• SMILES: C[C@@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)N[C@@]2(CCCc3ccccc32)C1=O
• InChI: InChI=1S/C21H20ClN3O3/c1-13(18(26)23-16-9-4-8-15(22)12-16)25-19(27)21(24-20(25)28)11-5-7-14-6-2-3-10-17(14)21/h2-4,6,8-10,12-13H,5,7,11H2,1H3,(H,23,26)(H,24,28)/t13-,21+/m0/s1
• InChIKey: RNLJVGODGQYJEF-YEJXKQKISA-N
• XLogP: 3.45
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.86
LogP ≤ 5	3.45
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 (2S)-N-(3-chlorophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]propanamide?

The IUPAC name of (2S)-N-(3-chlorophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]propanamide (CID 7916507) is (2S)-N-(3-chlorophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]propanamide.

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

The canonical SMILES for (2S)-N-(3-chlorophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]propanamide is C[C@@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)N[C@@]2(CCCc3ccccc32)C1=O.

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

The InChIKey is RNLJVGODGQYJEF-YEJXKQKISA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-13(18(26)23-16-9-4-8-15(22)12-16)25-19(27)21(24-20(25)28)11-5-7-14-6-2-3-10-17(14)21/h2-4,6,8-10,12-13H,5,7,11H2,1H3,(H,23,26)(H,24,28)/t13-,21+/m0/s1.

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

(2S)-N-(3-chlorophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]propanamide has a molecular weight of 397.86 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-(3-chlorophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]propanamide is sourced from PubChem (CID 7916507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).