(E)-N-methyl-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide

C20H20F3NO2 — CID 27006722

About (E)-N-methyl-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide

(E)-N-methyl-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide (PubChem CID 27006722) has the molecular formula C20H20F3NO2 and a molecular weight of 363.38 g/mol. Its IUPAC name is (E)-N-methyl-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-N-methyl-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
• PubChem CID: 27006722
• Molecular Formula: C20H20F3NO2
• Molecular Weight: 363.38 g/mol
• Exact Mass: 363.14
• IUPAC Name: (E)-N-methyl-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
• SMILES: C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)o1
• InChI: InChI=1S/C20H20F3NO2/c1-13-11-17(13)18-9-7-16(26-18)8-10-19(25)24(2)12-14-3-5-15(6-4-14)20(21,22)23/h3-10,13,17H,11-12H2,1-2H3/b10-8+/t13-,17+/m0/s1
• InChIKey: GMDCFVLYYICTLY-RHPXVONCSA-N
• XLogP: 5.09
• TPSA: 33.45 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	363.38
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide?

The IUPAC name of (E)-N-methyl-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide (CID 27006722) is (E)-N-methyl-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide.

What is the SMILES notation for (E)-N-methyl-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide?

The canonical SMILES for (E)-N-methyl-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide is C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)o1.

What is the InChIKey of (E)-N-methyl-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide?

The InChIKey is GMDCFVLYYICTLY-RHPXVONCSA-N. The full InChI is InChI=1S/C20H20F3NO2/c1-13-11-17(13)18-9-7-16(26-18)8-10-19(25)24(2)12-14-3-5-15(6-4-14)20(21,22)23/h3-10,13,17H,11-12H2,1-2H3/b10-8+/t13-,17+/m0/s1.

What are the key properties of (E)-N-methyl-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide?

(E)-N-methyl-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide has a molecular weight of 363.38 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-methyl-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 27006722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).