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

C26H29ClN4O3 — CID 43044675

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

N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 43044675) has the molecular formula C26H29ClN4O3 and a molecular weight of 481.00 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
• PubChem CID: 43044675
• Molecular Formula: C26H29ClN4O3
• Molecular Weight: 481.00 g/mol
• Exact Mass: 480.19
• IUPAC Name: N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
• SMILES: O=C(CN1C(=O)NC2(CCCc3ccccc32)C1=O)NCC(c1ccccc1Cl)N1CCCC1
• InChI: InChI=1S/C26H29ClN4O3/c27-21-12-4-2-10-19(21)22(30-14-5-6-15-30)16-28-23(32)17-31-24(33)26(29-25(31)34)13-7-9-18-8-1-3-11-20(18)26/h1-4,8,10-12,22H,5-7,9,13-17H2,(H,28,32)(H,29,34)
• InChIKey: ITHMKSCHSFPYIA-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 81.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.00
LogP ≤ 5	3.38
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-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide?

The IUPAC name of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide (CID 43044675) is N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide.

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

The canonical SMILES for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide is O=C(CN1C(=O)NC2(CCCc3ccccc32)C1=O)NCC(c1ccccc1Cl)N1CCCC1.

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

The InChIKey is ITHMKSCHSFPYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O3/c27-21-12-4-2-10-19(21)22(30-14-5-6-15-30)16-28-23(32)17-31-24(33)26(29-25(31)34)13-7-9-18-8-1-3-11-20(18)26/h1-4,8,10-12,22H,5-7,9,13-17H2,(H,28,32)(H,29,34).

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

N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide has a molecular weight of 481.00 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 43044675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).