N-[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]indol-5-yl]prop-2-enamide;N-[1-[(3-methoxyphenyl)methyl]indol-5-yl]prop-2-enamide;N-[3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-5-yl]prop-2-enamide

C58H49F7N6O4 — CID 175373706

About N-[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]indol-5-yl]prop-2-enamide;N-[1-[(3-methoxyphenyl)methyl]indol-5-yl]prop-2-enamide;N-[3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-5-yl]prop-2-enamide

N-[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]indol-5-yl]prop-2-enamide;N-[1-[(3-methoxyphenyl)methyl]indol-5-yl]prop-2-enamide;N-[3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-5-yl]prop-2-enamide (PubChem CID 175373706) has the molecular formula C58H49F7N6O4 and a molecular weight of 1027.05 g/mol. Its IUPAC name is N-[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]indol-5-yl]prop-2-enamide;N-[1-[(3-methoxyphenyl)methyl]indol-5-yl]prop-2-enamide;N-[3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-5-yl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]indol-5-yl]prop-2-enamide;N-[1-[(3-methoxyphenyl)methyl]indol-5-yl]prop-2-enamide;N-[3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-5-yl]prop-2-enamide
• PubChem CID: 175373706
• Molecular Formula: C58H49F7N6O4
• Molecular Weight: 1027.05 g/mol
• Exact Mass: 1026.37
• IUPAC Name: N-[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]indol-5-yl]prop-2-enamide;N-[1-[(3-methoxyphenyl)methyl]indol-5-yl]prop-2-enamide;N-[3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-5-yl]prop-2-enamide
• SMILES: C=CC(=O)Nc1ccc2c(c1)c(C)cn2Cc1cccc(C(F)(F)F)c1.C=CC(=O)Nc1ccc2c(ccn2Cc2cc(C(F)(F)F)ccc2F)c1.C=CC(=O)Nc1ccc2c(ccn2Cc2cccc(OC)c2)c1
• InChI: InChI=1S/C20H17F3N2O.C19H14F4N2O.C19H18N2O2/c1-3-19(26)24-16-7-8-18-17(10-16)13(2)11-25(18)12-14-5-4-6-15(9-14)20(21,22)23;1-2-18(26)24-15-4-6-17-12(10-15)7-8-25(17)11-13-9-14(19(21,22)23)3-5-16(13)20;1-3-19(22)20-16-7-8-18-15(12-16)9-10-21(18)13-14-5-4-6-17(11-14)23-2/h3-11H,1,12H2,2H3,(H,24,26);2-10H,1,11H2,(H,24,26);3-12H,1,13H2,2H3,(H,20,22)
• InChIKey: GSTSBTXVRSIPKY-UHFFFAOYSA-N
• XLogP: 13.94
• TPSA: 111.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1027.05
LogP ≤ 5	13.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]indol-5-yl]prop-2-enamide;N-[1-[(3-methoxyphenyl)methyl]indol-5-yl]prop-2-enamide;N-[3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-5-yl]prop-2-enamide?

The IUPAC name of N-[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]indol-5-yl]prop-2-enamide;N-[1-[(3-methoxyphenyl)methyl]indol-5-yl]prop-2-enamide;N-[3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-5-yl]prop-2-enamide (CID 175373706) is N-[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]indol-5-yl]prop-2-enamide;N-[1-[(3-methoxyphenyl)methyl]indol-5-yl]prop-2-enamide;N-[3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-5-yl]prop-2-enamide.

What is the SMILES notation for N-[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]indol-5-yl]prop-2-enamide;N-[1-[(3-methoxyphenyl)methyl]indol-5-yl]prop-2-enamide;N-[3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-5-yl]prop-2-enamide?

The canonical SMILES for N-[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]indol-5-yl]prop-2-enamide;N-[1-[(3-methoxyphenyl)methyl]indol-5-yl]prop-2-enamide;N-[3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-5-yl]prop-2-enamide is C=CC(=O)Nc1ccc2c(c1)c(C)cn2Cc1cccc(C(F)(F)F)c1.C=CC(=O)Nc1ccc2c(ccn2Cc2cc(C(F)(F)F)ccc2F)c1.C=CC(=O)Nc1ccc2c(ccn2Cc2cccc(OC)c2)c1.

What is the InChIKey of N-[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]indol-5-yl]prop-2-enamide;N-[1-[(3-methoxyphenyl)methyl]indol-5-yl]prop-2-enamide;N-[3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-5-yl]prop-2-enamide?

The InChIKey is GSTSBTXVRSIPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O.C19H14F4N2O.C19H18N2O2/c1-3-19(26)24-16-7-8-18-17(10-16)13(2)11-25(18)12-14-5-4-6-15(9-14)20(21,22)23;1-2-18(26)24-15-4-6-17-12(10-15)7-8-25(17)11-13-9-14(19(21,22)23)3-5-16(13)20;1-3-19(22)20-16-7-8-18-15(12-16)9-10-21(18)13-14-5-4-6-17(11-14)23-2/h3-11H,1,12H2,2H3,(H,24,26);2-10H,1,11H2,(H,24,26);3-12H,1,13H2,2H3,(H,20,22).

What are the key properties of N-[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]indol-5-yl]prop-2-enamide;N-[1-[(3-methoxyphenyl)methyl]indol-5-yl]prop-2-enamide;N-[3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-5-yl]prop-2-enamide?

N-[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]indol-5-yl]prop-2-enamide;N-[1-[(3-methoxyphenyl)methyl]indol-5-yl]prop-2-enamide;N-[3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-5-yl]prop-2-enamide has a molecular weight of 1027.05 g/mol, XLogP of 13.94, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]indol-5-yl]prop-2-enamide;N-[1-[(3-methoxyphenyl)methyl]indol-5-yl]prop-2-enamide;N-[3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indol-5-yl]prop-2-enamide is sourced from PubChem (CID 175373706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).