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

C30H28F7N3O3 — CID 57396275

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

2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[3-(hydroxymethyl)-5-oxopyrrolidin-2-yl]-3-pyridinyl]-N,2-dimethylpropanamide (PubChem CID 57396275) 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-[3-(hydroxymethyl)-5-oxopyrrolidin-2-yl]-3-pyridinyl]-N,2-dimethylpropanamide.

Molecular Properties

• Compound Name: 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[3-(hydroxymethyl)-5-oxopyrrolidin-2-yl]-3-pyridinyl]-N,2-dimethylpropanamide
• PubChem CID: 57396275
• 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-[3-(hydroxymethyl)-5-oxopyrrolidin-2-yl]-3-pyridinyl]-N,2-dimethylpropanamide
• SMILES: Cc1cc(F)ccc1-c1cc(C2NC(=O)CC2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
• InChI: InChI=1S/C30H28F7N3O3/c1-15-7-20(31)5-6-21(15)22-12-23(26-16(14-41)8-25(42)39-26)38-13-24(22)40(4)27(43)28(2,3)17-9-18(29(32,33)34)11-19(10-17)30(35,36)37/h5-7,9-13,16,26,41H,8,14H2,1-4H3,(H,39,42)
• InChIKey: AYUYKFLBPMUYIU-UHFFFAOYSA-N
• XLogP: 6.34
• 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	6.34
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-[3-(hydroxymethyl)-5-oxopyrrolidin-2-yl]-3-pyridinyl]-N,2-dimethylpropanamide?

The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[3-(hydroxymethyl)-5-oxopyrrolidin-2-yl]-3-pyridinyl]-N,2-dimethylpropanamide (CID 57396275) is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[3-(hydroxymethyl)-5-oxopyrrolidin-2-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-[3-(hydroxymethyl)-5-oxopyrrolidin-2-yl]-3-pyridinyl]-N,2-dimethylpropanamide?

The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[3-(hydroxymethyl)-5-oxopyrrolidin-2-yl]-3-pyridinyl]-N,2-dimethylpropanamide is Cc1cc(F)ccc1-c1cc(C2NC(=O)CC2CO)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-[3-(hydroxymethyl)-5-oxopyrrolidin-2-yl]-3-pyridinyl]-N,2-dimethylpropanamide?

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

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

2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[3-(hydroxymethyl)-5-oxopyrrolidin-2-yl]-3-pyridinyl]-N,2-dimethylpropanamide has a molecular weight of 611.56 g/mol, XLogP of 6.34, 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-[3-(hydroxymethyl)-5-oxopyrrolidin-2-yl]-3-pyridinyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 57396275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).