N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide

C23H21F3N2O2 — CID 24803231

About N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide

N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide (PubChem CID 24803231) has the molecular formula C23H21F3N2O2 and a molecular weight of 414.43 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide.

Molecular Properties

• Compound Name: N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
• PubChem CID: 24803231
• Molecular Formula: C23H21F3N2O2
• Molecular Weight: 414.43 g/mol
• Exact Mass: 414.16
• IUPAC Name: N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
• SMILES: Cc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CC2
• InChI: InChI=1S/C23H21F3N2O2/c1-14-12-15(8-10-23(24,25)26)2-7-19(14)21(29)27-18-6-5-16-9-11-28(20(16)13-18)22(30)17-3-4-17/h2,5-8,10,12-13,17H,3-4,9,11H2,1H3,(H,27,29)/b10-8+
• InChIKey: UYHFPLNFZIOKFG-CSKARUKUSA-N
• XLogP: 5.12
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	414.43
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?

The IUPAC name of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide (CID 24803231) is N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide.

What is the SMILES notation for N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?

The canonical SMILES for N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide is Cc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CC2.

What is the InChIKey of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?

The InChIKey is UYHFPLNFZIOKFG-CSKARUKUSA-N. The full InChI is InChI=1S/C23H21F3N2O2/c1-14-12-15(8-10-23(24,25)26)2-7-19(14)21(29)27-18-6-5-16-9-11-28(20(16)13-18)22(30)17-3-4-17/h2,5-8,10,12-13,17H,3-4,9,11H2,1H3,(H,27,29)/b10-8+.

What are the key properties of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?

N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide has a molecular weight of 414.43 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide is sourced from PubChem (CID 24803231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).