N-[6-[3-[acetyl(ethyl)amino]pyrrolidin-1-yl]-4-(2-chlorophenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide

C32H33ClF6N4O2 — CID 11285241

About N-[6-[3-[acetyl(ethyl)amino]pyrrolidin-1-yl]-4-(2-chlorophenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide

N-[6-[3-[acetyl(ethyl)amino]pyrrolidin-1-yl]-4-(2-chlorophenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide (PubChem CID 11285241) has the molecular formula C32H33ClF6N4O2 and a molecular weight of 655.08 g/mol. Its IUPAC name is N-[6-[3-[acetyl(ethyl)amino]pyrrolidin-1-yl]-4-(2-chlorophenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[6-[3-[acetyl(ethyl)amino]pyrrolidin-1-yl]-4-(2-chlorophenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide
• PubChem CID: 11285241
• Molecular Formula: C32H33ClF6N4O2
• Molecular Weight: 655.08 g/mol
• Exact Mass: 654.22
• IUPAC Name: N-[6-[3-[acetyl(ethyl)amino]pyrrolidin-1-yl]-4-(2-chlorophenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide
• SMILES: CCN(C(C)=O)C1CCN(c2cc(-c3ccccc3Cl)c(N(C)C(=O)C(C)(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cn2)C1
• InChI: InChI=1S/C32H33ClF6N4O2/c1-6-43(19(2)44)23-11-12-42(18-23)28-16-25(24-9-7-8-10-26(24)33)27(17-40-28)41(5)29(45)30(3,4)20-13-21(31(34,35)36)15-22(14-20)32(37,38)39/h7-10,13-17,23H,6,11-12,18H2,1-5H3
• InChIKey: HHBSHUSEHUZEGX-UHFFFAOYSA-N
• XLogP: 7.83
• TPSA: 56.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	655.08
LogP ≤ 5	7.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-[acetyl(ethyl)amino]pyrrolidin-1-yl]-4-(2-chlorophenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide?

The IUPAC name of N-[6-[3-[acetyl(ethyl)amino]pyrrolidin-1-yl]-4-(2-chlorophenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide (CID 11285241) is N-[6-[3-[acetyl(ethyl)amino]pyrrolidin-1-yl]-4-(2-chlorophenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide.

What is the SMILES notation for N-[6-[3-[acetyl(ethyl)amino]pyrrolidin-1-yl]-4-(2-chlorophenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide?

The canonical SMILES for N-[6-[3-[acetyl(ethyl)amino]pyrrolidin-1-yl]-4-(2-chlorophenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide is CCN(C(C)=O)C1CCN(c2cc(-c3ccccc3Cl)c(N(C)C(=O)C(C)(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cn2)C1.

What is the InChIKey of N-[6-[3-[acetyl(ethyl)amino]pyrrolidin-1-yl]-4-(2-chlorophenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide?

The InChIKey is HHBSHUSEHUZEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33ClF6N4O2/c1-6-43(19(2)44)23-11-12-42(18-23)28-16-25(24-9-7-8-10-26(24)33)27(17-40-28)41(5)29(45)30(3,4)20-13-21(31(34,35)36)15-22(14-20)32(37,38)39/h7-10,13-17,23H,6,11-12,18H2,1-5H3.

What are the key properties of N-[6-[3-[acetyl(ethyl)amino]pyrrolidin-1-yl]-4-(2-chlorophenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide?

N-[6-[3-[acetyl(ethyl)amino]pyrrolidin-1-yl]-4-(2-chlorophenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide has a molecular weight of 655.08 g/mol, XLogP of 7.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[3-[acetyl(ethyl)amino]pyrrolidin-1-yl]-4-(2-chlorophenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 11285241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).