2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[2-(hydroxymethyl)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-N,2-dimethylpropanamide

C30H28F7N3O3 — CID 57398076

About 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[2-(hydroxymethyl)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-N,2-dimethylpropanamide

2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[2-(hydroxymethyl)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-N,2-dimethylpropanamide (PubChem CID 57398076) has the molecular formula C30H28F7N3O3 and a molecular weight of 611.56 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[2-(hydroxymethyl)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-N,2-dimethylpropanamide.

Molecular Properties

• Compound Name: 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[2-(hydroxymethyl)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-N,2-dimethylpropanamide
• PubChem CID: 57398076
• Molecular Formula: C30H28F7N3O3
• Molecular Weight: 611.56 g/mol
• Exact Mass: 611.20
• IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[2-(hydroxymethyl)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-N,2-dimethylpropanamide
• SMILES: Cc1cc(F)ccc1-c1cc(C2CC(=O)NC2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
• InChI: InChI=1S/C30H28F7N3O3/c1-15-7-19(31)5-6-20(15)21-11-23(22-12-26(42)39-24(22)14-41)38-13-25(21)40(4)27(43)28(2,3)16-8-17(29(32,33)34)10-18(9-16)30(35,36)37/h5-11,13,22,24,41H,12,14H2,1-4H3,(H,39,42)
• InChIKey: ZDVCPNJSRCVCHL-UHFFFAOYSA-N
• XLogP: 6.14
• TPSA: 82.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.56
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[2-(hydroxymethyl)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-N,2-dimethylpropanamide?

The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[2-(hydroxymethyl)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-N,2-dimethylpropanamide (CID 57398076) is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[2-(hydroxymethyl)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-N,2-dimethylpropanamide.

What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[2-(hydroxymethyl)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-N,2-dimethylpropanamide?

The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[2-(hydroxymethyl)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-N,2-dimethylpropanamide is Cc1cc(F)ccc1-c1cc(C2CC(=O)NC2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.

What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[2-(hydroxymethyl)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-N,2-dimethylpropanamide?

The InChIKey is ZDVCPNJSRCVCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F7N3O3/c1-15-7-19(31)5-6-20(15)21-11-23(22-12-26(42)39-24(22)14-41)38-13-25(21)40(4)27(43)28(2,3)16-8-17(29(32,33)34)10-18(9-16)30(35,36)37/h5-11,13,22,24,41H,12,14H2,1-4H3,(H,39,42).

What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[2-(hydroxymethyl)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-N,2-dimethylpropanamide?

2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[2-(hydroxymethyl)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-N,2-dimethylpropanamide has a molecular weight of 611.56 g/mol, XLogP of 6.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[2-(hydroxymethyl)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 57398076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).