(2R)-2-[(3S)-3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide

C23H22F6N2O4 — CID 11733862

About (2R)-2-[(3S)-3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide

(2R)-2-[(3S)-3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide (PubChem CID 11733862) has the molecular formula C23H22F6N2O4 and a molecular weight of 504.43 g/mol. Its IUPAC name is (2R)-2-[(3S)-3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide.

Molecular Properties

• Compound Name: (2R)-2-[(3S)-3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
• PubChem CID: 11733862
• Molecular Formula: C23H22F6N2O4
• Molecular Weight: 504.43 g/mol
• Exact Mass: 504.15
• IUPAC Name: (2R)-2-[(3S)-3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
• SMILES: C[C@H](C(=O)NO)N1CC[C@@](C)(c2ccc(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)C1=O
• InChI: InChI=1S/C23H22F6N2O4/c1-13(19(32)30-34)31-8-7-21(2,20(31)33)15-3-5-18(6-4-15)35-12-14-9-16(22(24,25)26)11-17(10-14)23(27,28)29/h3-6,9-11,13,34H,7-8,12H2,1-2H3,(H,30,32)/t13-,21+/m1/s1
• InChIKey: WTYPBULLPNGNTN-ASSNKEHSSA-N
• XLogP: 4.69
• TPSA: 78.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.43
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3S)-3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide?

The IUPAC name of (2R)-2-[(3S)-3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide (CID 11733862) is (2R)-2-[(3S)-3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide.

What is the SMILES notation for (2R)-2-[(3S)-3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide?

The canonical SMILES for (2R)-2-[(3S)-3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide is C[C@H](C(=O)NO)N1CC[C@@](C)(c2ccc(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)C1=O.

What is the InChIKey of (2R)-2-[(3S)-3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide?

The InChIKey is WTYPBULLPNGNTN-ASSNKEHSSA-N. The full InChI is InChI=1S/C23H22F6N2O4/c1-13(19(32)30-34)31-8-7-21(2,20(31)33)15-3-5-18(6-4-15)35-12-14-9-16(22(24,25)26)11-17(10-14)23(27,28)29/h3-6,9-11,13,34H,7-8,12H2,1-2H3,(H,30,32)/t13-,21+/m1/s1.

What are the key properties of (2R)-2-[(3S)-3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide?

(2R)-2-[(3S)-3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide has a molecular weight of 504.43 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(3S)-3-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide is sourced from PubChem (CID 11733862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).