2-[4-chloro-2-[(3S)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-N-(2-formamidoethyl)-2-methylpropanamide

C32H31Cl2FN4O5 — CID 143823448

About 2-[4-chloro-2-[(3S)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-N-(2-formamidoethyl)-2-methylpropanamide

2-[4-chloro-2-[(3S)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-N-(2-formamidoethyl)-2-methylpropanamide (PubChem CID 143823448) has the molecular formula C32H31Cl2FN4O5 and a molecular weight of 641.53 g/mol. Its IUPAC name is 2-[4-chloro-2-[(3S)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-N-(2-formamidoethyl)-2-methylpropanamide.

Molecular Properties

• Compound Name: 2-[4-chloro-2-[(3S)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-N-(2-formamidoethyl)-2-methylpropanamide
• PubChem CID: 143823448
• Molecular Formula: C32H31Cl2FN4O5
• Molecular Weight: 641.53 g/mol
• Exact Mass: 640.17
• IUPAC Name: 2-[4-chloro-2-[(3S)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-N-(2-formamidoethyl)-2-methylpropanamide
• SMILES: Cc1ccc(F)cc1C1NC(=O)CC(c2cc(Cl)ccc2OC(C)(C)C(=O)NCCNC=O)[C@@]12C(=O)Nc1cc(Cl)ccc12
• InChI: InChI=1S/C32H31Cl2FN4O5/c1-17-4-7-20(35)14-21(17)28-32(23-8-5-19(34)13-25(23)38-30(32)43)24(15-27(41)39-28)22-12-18(33)6-9-26(22)44-31(2,3)29(42)37-11-10-36-16-40/h4-9,12-14,16,24,28H,10-11,15H2,1-3H3,(H,36,40)(H,37,42)(H,38,43)(H,39,41)/t24?,28?,32-/m1/s1
• InChIKey: CQJDKSVWGWKGLZ-PWJCZFGMSA-N
• XLogP: 4.70
• TPSA: 125.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	641.53
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[(3S)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-N-(2-formamidoethyl)-2-methylpropanamide?

The IUPAC name of 2-[4-chloro-2-[(3S)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-N-(2-formamidoethyl)-2-methylpropanamide (CID 143823448) is 2-[4-chloro-2-[(3S)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-N-(2-formamidoethyl)-2-methylpropanamide.

What is the SMILES notation for 2-[4-chloro-2-[(3S)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-N-(2-formamidoethyl)-2-methylpropanamide?

The canonical SMILES for 2-[4-chloro-2-[(3S)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-N-(2-formamidoethyl)-2-methylpropanamide is Cc1ccc(F)cc1C1NC(=O)CC(c2cc(Cl)ccc2OC(C)(C)C(=O)NCCNC=O)[C@@]12C(=O)Nc1cc(Cl)ccc12.

What is the InChIKey of 2-[4-chloro-2-[(3S)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-N-(2-formamidoethyl)-2-methylpropanamide?

The InChIKey is CQJDKSVWGWKGLZ-PWJCZFGMSA-N. The full InChI is InChI=1S/C32H31Cl2FN4O5/c1-17-4-7-20(35)14-21(17)28-32(23-8-5-19(34)13-25(23)38-30(32)43)24(15-27(41)39-28)22-12-18(33)6-9-26(22)44-31(2,3)29(42)37-11-10-36-16-40/h4-9,12-14,16,24,28H,10-11,15H2,1-3H3,(H,36,40)(H,37,42)(H,38,43)(H,39,41)/t24?,28?,32-/m1/s1.

What are the key properties of 2-[4-chloro-2-[(3S)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-N-(2-formamidoethyl)-2-methylpropanamide?

2-[4-chloro-2-[(3S)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-N-(2-formamidoethyl)-2-methylpropanamide has a molecular weight of 641.53 g/mol, XLogP of 4.70, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-chloro-2-[(3S)-6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-N-(2-formamidoethyl)-2-methylpropanamide is sourced from PubChem (CID 143823448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).