2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[4-(hydroxymethyl)-1-methyl-5-oxopyrrolidin-3-yl]-3-pyridinyl]-N,2-dimethylpropanamide;hydrochloride

C31H31ClF7N3O3 — CID 57403248

About 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[4-(hydroxymethyl)-1-methyl-5-oxopyrrolidin-3-yl]-3-pyridinyl]-N,2-dimethylpropanamide;hydrochloride

2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[4-(hydroxymethyl)-1-methyl-5-oxopyrrolidin-3-yl]-3-pyridinyl]-N,2-dimethylpropanamide;hydrochloride (PubChem CID 57403248) has the molecular formula C31H31ClF7N3O3 and a molecular weight of 662.05 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[4-(hydroxymethyl)-1-methyl-5-oxopyrrolidin-3-yl]-3-pyridinyl]-N,2-dimethylpropanamide;hydrochloride.

Molecular Properties

• Compound Name: 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[4-(hydroxymethyl)-1-methyl-5-oxopyrrolidin-3-yl]-3-pyridinyl]-N,2-dimethylpropanamide;hydrochloride
• PubChem CID: 57403248
• Molecular Formula: C31H31ClF7N3O3
• Molecular Weight: 662.05 g/mol
• Exact Mass: 661.19
• IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[4-(hydroxymethyl)-1-methyl-5-oxopyrrolidin-3-yl]-3-pyridinyl]-N,2-dimethylpropanamide;hydrochloride
• SMILES: Cc1cc(F)ccc1-c1cc(C2CN(C)C(=O)C2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cl
• InChI: InChI=1S/C31H30F7N3O3.ClH/c1-16-8-20(32)6-7-21(16)22-12-25(23-14-40(4)27(43)24(23)15-42)39-13-26(22)41(5)28(44)29(2,3)17-9-18(30(33,34)35)11-19(10-17)31(36,37)38;/h6-13,23-24,42H,14-15H2,1-5H3;1H
• InChIKey: YPEFMFQUCVHXSS-UHFFFAOYSA-N
• XLogP: 6.76
• TPSA: 73.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.05
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	1
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-[4-(hydroxymethyl)-1-methyl-5-oxopyrrolidin-3-yl]-3-pyridinyl]-N,2-dimethylpropanamide;hydrochloride?

The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[4-(hydroxymethyl)-1-methyl-5-oxopyrrolidin-3-yl]-3-pyridinyl]-N,2-dimethylpropanamide;hydrochloride (CID 57403248) is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[4-(hydroxymethyl)-1-methyl-5-oxopyrrolidin-3-yl]-3-pyridinyl]-N,2-dimethylpropanamide;hydrochloride.

What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[4-(hydroxymethyl)-1-methyl-5-oxopyrrolidin-3-yl]-3-pyridinyl]-N,2-dimethylpropanamide;hydrochloride?

The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[4-(hydroxymethyl)-1-methyl-5-oxopyrrolidin-3-yl]-3-pyridinyl]-N,2-dimethylpropanamide;hydrochloride is Cc1cc(F)ccc1-c1cc(C2CN(C)C(=O)C2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cl.

What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[4-(hydroxymethyl)-1-methyl-5-oxopyrrolidin-3-yl]-3-pyridinyl]-N,2-dimethylpropanamide;hydrochloride?

The InChIKey is YPEFMFQUCVHXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30F7N3O3.ClH/c1-16-8-20(32)6-7-21(16)22-12-25(23-14-40(4)27(43)24(23)15-42)39-13-26(22)41(5)28(44)29(2,3)17-9-18(30(33,34)35)11-19(10-17)31(36,37)38;/h6-13,23-24,42H,14-15H2,1-5H3;1H.

What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[4-(hydroxymethyl)-1-methyl-5-oxopyrrolidin-3-yl]-3-pyridinyl]-N,2-dimethylpropanamide;hydrochloride?

2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[4-(hydroxymethyl)-1-methyl-5-oxopyrrolidin-3-yl]-3-pyridinyl]-N,2-dimethylpropanamide;hydrochloride has a molecular weight of 662.05 g/mol, XLogP of 6.76, 6 rotatable bonds, 1 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-[4-(hydroxymethyl)-1-methyl-5-oxopyrrolidin-3-yl]-3-pyridinyl]-N,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 57403248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).