2-methyl-N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]furan-3-carboxamide

C18H17F3N2O3 — CID 42147175

About 2-methyl-N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]furan-3-carboxamide

2-methyl-N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]furan-3-carboxamide (PubChem CID 42147175) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 2-methyl-N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]furan-3-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]furan-3-carboxamide
• PubChem CID: 42147175
• Molecular Formula: C18H17F3N2O3
• Molecular Weight: 366.34 g/mol
• Exact Mass: 366.12
• IUPAC Name: 2-methyl-N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]furan-3-carboxamide
• SMILES: Cc1occc1C(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1
• InChI: InChI=1S/C18H17F3N2O3/c1-11-14(6-7-26-11)17(25)22-13-8-16(24)23(10-13)9-12-4-2-3-5-15(12)18(19,20)21/h2-7,13H,8-10H2,1H3,(H,22,25)/t13-/m0/s1
• InChIKey: YLWQIYVMGXTBDF-ZDUSSCGKSA-N
• XLogP: 3.14
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.34
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]furan-3-carboxamide?

The IUPAC name of 2-methyl-N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]furan-3-carboxamide (CID 42147175) is 2-methyl-N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]furan-3-carboxamide.

What is the SMILES notation for 2-methyl-N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]furan-3-carboxamide?

The canonical SMILES for 2-methyl-N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]furan-3-carboxamide is Cc1occc1C(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1.

What is the InChIKey of 2-methyl-N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]furan-3-carboxamide?

The InChIKey is YLWQIYVMGXTBDF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-11-14(6-7-26-11)17(25)22-13-8-16(24)23(10-13)9-12-4-2-3-5-15(12)18(19,20)21/h2-7,13H,8-10H2,1H3,(H,22,25)/t13-/m0/s1.

What are the key properties of 2-methyl-N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]furan-3-carboxamide?

2-methyl-N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]furan-3-carboxamide has a molecular weight of 366.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]furan-3-carboxamide is sourced from PubChem (CID 42147175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).