4-amino-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-5-(2,2-dimethylpropyl)-N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide

C31H35Cl2F2N3O — CID 123845157

About 4-amino-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-5-(2,2-dimethylpropyl)-N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide

4-amino-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-5-(2,2-dimethylpropyl)-N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide (PubChem CID 123845157) has the molecular formula C31H35Cl2F2N3O and a molecular weight of 574.54 g/mol. Its IUPAC name is 4-amino-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-5-(2,2-dimethylpropyl)-N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 4-amino-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-5-(2,2-dimethylpropyl)-N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide
• PubChem CID: 123845157
• Molecular Formula: C31H35Cl2F2N3O
• Molecular Weight: 574.54 g/mol
• Exact Mass: 573.21
• IUPAC Name: 4-amino-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-5-(2,2-dimethylpropyl)-N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide
• SMILES: Cc1cc(C)c(NC(=O)C2NC(CC(C)(C)C)C(N)(c3ccc(Cl)cc3F)C2c2cccc(Cl)c2F)cc1C
• InChI: InChI=1S/C31H35Cl2F2N3O/c1-16-12-18(3)24(13-17(16)2)37-29(39)28-26(20-8-7-9-22(33)27(20)35)31(36,25(38-28)15-30(4,5)6)21-11-10-19(32)14-23(21)34/h7-14,25-26,28,38H,15,36H2,1-6H3,(H,37,39)
• InChIKey: RZVVMPNSLSWTDC-UHFFFAOYSA-N
• XLogP: 7.55
• TPSA: 67.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.54
LogP ≤ 5	7.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-5-(2,2-dimethylpropyl)-N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide?

The IUPAC name of 4-amino-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-5-(2,2-dimethylpropyl)-N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide (CID 123845157) is 4-amino-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-5-(2,2-dimethylpropyl)-N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide.

What is the SMILES notation for 4-amino-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-5-(2,2-dimethylpropyl)-N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide?

The canonical SMILES for 4-amino-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-5-(2,2-dimethylpropyl)-N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide is Cc1cc(C)c(NC(=O)C2NC(CC(C)(C)C)C(N)(c3ccc(Cl)cc3F)C2c2cccc(Cl)c2F)cc1C.

What is the InChIKey of 4-amino-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-5-(2,2-dimethylpropyl)-N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide?

The InChIKey is RZVVMPNSLSWTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35Cl2F2N3O/c1-16-12-18(3)24(13-17(16)2)37-29(39)28-26(20-8-7-9-22(33)27(20)35)31(36,25(38-28)15-30(4,5)6)21-11-10-19(32)14-23(21)34/h7-14,25-26,28,38H,15,36H2,1-6H3,(H,37,39).

What are the key properties of 4-amino-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-5-(2,2-dimethylpropyl)-N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide?

4-amino-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-5-(2,2-dimethylpropyl)-N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 574.54 g/mol, XLogP of 7.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-5-(2,2-dimethylpropyl)-N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 123845157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).