N-(4-carbamoyl-2-methoxyphenyl)-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-6-ethylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide

C33H38ClFN4O3 — CID 177065757

About N-(4-carbamoyl-2-methoxyphenyl)-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-6-ethylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide

N-(4-carbamoyl-2-methoxyphenyl)-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-6-ethylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide (PubChem CID 177065757) has the molecular formula C33H38ClFN4O3 and a molecular weight of 593.14 g/mol. Its IUPAC name is N-(4-carbamoyl-2-methoxyphenyl)-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-6-ethylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide.

Molecular Properties

• Compound Name: N-(4-carbamoyl-2-methoxyphenyl)-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-6-ethylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide
• PubChem CID: 177065757
• Molecular Formula: C33H38ClFN4O3
• Molecular Weight: 593.14 g/mol
• Exact Mass: 592.26
• IUPAC Name: N-(4-carbamoyl-2-methoxyphenyl)-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-6-ethylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide
• SMILES: CCc1ccc2c(c1)NCC21C(CC(C)(C)C)NC(C(=O)Nc2ccc(C(N)=O)cc2OC)C1c1cccc(Cl)c1F
• InChI: InChI=1S/C33H38ClFN4O3/c1-6-18-10-12-21-24(14-18)37-17-33(21)26(16-32(2,3)4)39-29(27(33)20-8-7-9-22(34)28(20)35)31(41)38-23-13-11-19(30(36)40)15-25(23)42-5/h7-15,26-27,29,37,39H,6,16-17H2,1-5H3,(H2,36,40)(H,38,41)
• InChIKey: CHFGPQIQYWSKPJ-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 105.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.14
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-2-methoxyphenyl)-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-6-ethylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide?

The IUPAC name of N-(4-carbamoyl-2-methoxyphenyl)-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-6-ethylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide (CID 177065757) is N-(4-carbamoyl-2-methoxyphenyl)-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-6-ethylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide.

What is the SMILES notation for N-(4-carbamoyl-2-methoxyphenyl)-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-6-ethylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide?

The canonical SMILES for N-(4-carbamoyl-2-methoxyphenyl)-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-6-ethylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide is CCc1ccc2c(c1)NCC21C(CC(C)(C)C)NC(C(=O)Nc2ccc(C(N)=O)cc2OC)C1c1cccc(Cl)c1F.

What is the InChIKey of N-(4-carbamoyl-2-methoxyphenyl)-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-6-ethylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide?

The InChIKey is CHFGPQIQYWSKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38ClFN4O3/c1-6-18-10-12-21-24(14-18)37-17-33(21)26(16-32(2,3)4)39-29(27(33)20-8-7-9-22(34)28(20)35)31(41)38-23-13-11-19(30(36)40)15-25(23)42-5/h7-15,26-27,29,37,39H,6,16-17H2,1-5H3,(H2,36,40)(H,38,41).

What are the key properties of N-(4-carbamoyl-2-methoxyphenyl)-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-6-ethylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide?

N-(4-carbamoyl-2-methoxyphenyl)-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-6-ethylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide has a molecular weight of 593.14 g/mol, XLogP of 6.01, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-carbamoyl-2-methoxyphenyl)-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-6-ethylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide is sourced from PubChem (CID 177065757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).