N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-1-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide

C29H26ClF3N4O3 — CID 123819552

About N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-1-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide

N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-1-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 123819552) has the molecular formula C29H26ClF3N4O3 and a molecular weight of 571.00 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-1-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-1-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide
• PubChem CID: 123819552
• Molecular Formula: C29H26ClF3N4O3
• Molecular Weight: 571.00 g/mol
• Exact Mass: 570.16
• IUPAC Name: N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-1-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide
• SMILES: Cc1cccnc1N1C(=O)CCC1C(=O)N(c1cccc(F)c1)C(C(=O)NC1CC(F)(F)C1)c1ccccc1Cl
• InChI: InChI=1S/C29H26ClF3N4O3/c1-17-6-5-13-34-26(17)37-23(11-12-24(37)38)28(40)36(20-8-4-7-18(31)14-20)25(21-9-2-3-10-22(21)30)27(39)35-19-15-29(32,33)16-19/h2-10,13-14,19,23,25H,11-12,15-16H2,1H3,(H,35,39)
• InChIKey: SITQEJPACKGZEU-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 82.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.00
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-1-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide?

The IUPAC name of N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-1-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide (CID 123819552) is N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-1-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide.

What is the SMILES notation for N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-1-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide?

The canonical SMILES for N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-1-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide is Cc1cccnc1N1C(=O)CCC1C(=O)N(c1cccc(F)c1)C(C(=O)NC1CC(F)(F)C1)c1ccccc1Cl.

What is the InChIKey of N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-1-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide?

The InChIKey is SITQEJPACKGZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClF3N4O3/c1-17-6-5-13-34-26(17)37-23(11-12-24(37)38)28(40)36(20-8-4-7-18(31)14-20)25(21-9-2-3-10-22(21)30)27(39)35-19-15-29(32,33)16-19/h2-10,13-14,19,23,25H,11-12,15-16H2,1H3,(H,35,39).

What are the key properties of N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-1-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide?

N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-1-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 571.00 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-1-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 123819552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).