3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,4-bis(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide

C120H98F29N9O12 — CID 159346093

About 3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,4-bis(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide

3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,4-bis(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide (PubChem CID 159346093) has the molecular formula C120H98F29N9O12 and a molecular weight of 2409.10 g/mol. Its IUPAC name is 3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,4-bis(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide.

Molecular Properties

• Compound Name: 3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,4-bis(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide
• PubChem CID: 159346093
• Molecular Formula: C120H98F29N9O12
• Molecular Weight: 2409.10 g/mol
• Exact Mass: 2407.69
• IUPAC Name: 3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,4-bis(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide
• SMILES: CC(C)(C)c1ccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C(F)(F)F)cc2)cc1.O=C(CCc1ccc(C(F)(F)F)c(F)c1F)Nc1ccc2[nH]ccc2c1.O=C(CCc1ccc(C(F)(F)F)c(F)c1F)Nc1ccc2c(c1)OCCO2.O=C(CCc1ccc(C(F)(F)F)cc1C(F)(F)F)Nc1ccc2[nH]ccc2c1.O=C(CCc1ccc(C(F)(F)F)cc1C(F)(F)F)Nc1ccc2c(c1)OCCO2.O=C(CCc1ccc(C(F)(F)F)cc1F)Nc1ccc2[nH]ccc2c1
• InChI: InChI=1S/C28H28F3NO3.C19H14F6N2O.C19H15F6NO3.C18H13F5N2O.C18H14F5NO3.C18H14F4N2O/c1-27(2,3)20-8-4-18(5-9-20)23(19-6-10-21(11-7-19)28(29,30)31)17-26(33)32-22-12-13-24-25(16-22)35-15-14-34-24;20-18(21,22)13-3-1-11(15(10-13)19(23,24)25)2-6-17(28)27-14-4-5-16-12(9-14)7-8-26-16;20-18(21,22)12-3-1-11(14(9-12)19(23,24)25)2-6-17(27)26-13-4-5-15-16(10-13)29-8-7-28-15;19-16-10(1-4-13(17(16)20)18(21,22)23)2-6-15(26)25-12-3-5-14-11(9-12)7-8-24-14;19-16-10(1-4-12(17(16)20)18(21,22)23)2-6-15(25)24-11-3-5-13-14(9-11)27-8-7-26-13;19-15-10-13(18(20,21)22)3-1-11(15)2-6-17(25)24-14-4-5-16-12(9-14)7-8-23-16/h4-13,16,23H,14-15,17H2,1-3H3,(H,32,33);1,3-5,7-10,26H,2,6H2,(H,27,28);1,3-5,9-10H,2,6-8H2,(H,26,27);1,3-5,7-9,24H,2,6H2,(H,25,26);1,3-5,9H,2,6-8H2,(H,24,25);1,3-5,7-10,23H,2,6H2,(H,24,25)
• InChIKey: LGTAGONTYNKJJG-UHFFFAOYSA-N
• XLogP: 32.04
• TPSA: 277.35 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 12
• Rotatable Bonds: 25
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2409.10
LogP ≤ 5	32.04
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,4-bis(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide?

The IUPAC name of 3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,4-bis(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide (CID 159346093) is 3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,4-bis(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide.

What is the SMILES notation for 3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,4-bis(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide?

The canonical SMILES for 3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,4-bis(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide is CC(C)(C)c1ccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C(F)(F)F)cc2)cc1.O=C(CCc1ccc(C(F)(F)F)c(F)c1F)Nc1ccc2[nH]ccc2c1.O=C(CCc1ccc(C(F)(F)F)c(F)c1F)Nc1ccc2c(c1)OCCO2.O=C(CCc1ccc(C(F)(F)F)cc1C(F)(F)F)Nc1ccc2[nH]ccc2c1.O=C(CCc1ccc(C(F)(F)F)cc1C(F)(F)F)Nc1ccc2c(c1)OCCO2.O=C(CCc1ccc(C(F)(F)F)cc1F)Nc1ccc2[nH]ccc2c1.

What is the InChIKey of 3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,4-bis(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide?

The InChIKey is LGTAGONTYNKJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3NO3.C19H14F6N2O.C19H15F6NO3.C18H13F5N2O.C18H14F5NO3.C18H14F4N2O/c1-27(2,3)20-8-4-18(5-9-20)23(19-6-10-21(11-7-19)28(29,30)31)17-26(33)32-22-12-13-24-25(16-22)35-15-14-34-24;20-18(21,22)13-3-1-11(15(10-13)19(23,24)25)2-6-17(28)27-14-4-5-16-12(9-14)7-8-26-16;20-18(21,22)12-3-1-11(14(9-12)19(23,24)25)2-6-17(27)26-13-4-5-15-16(10-13)29-8-7-28-15;19-16-10(1-4-13(17(16)20)18(21,22)23)2-6-15(26)25-12-3-5-14-11(9-12)7-8-24-14;19-16-10(1-4-12(17(16)20)18(21,22)23)2-6-15(25)24-11-3-5-13-14(9-11)27-8-7-26-13;19-15-10-13(18(20,21)22)3-1-11(15)2-6-17(25)24-14-4-5-16-12(9-14)7-8-23-16/h4-13,16,23H,14-15,17H2,1-3H3,(H,32,33);1,3-5,7-10,26H,2,6H2,(H,27,28);1,3-5,9-10H,2,6-8H2,(H,26,27);1,3-5,7-9,24H,2,6H2,(H,25,26);1,3-5,9H,2,6-8H2,(H,24,25);1,3-5,7-10,23H,2,6H2,(H,24,25).

What are the key properties of 3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,4-bis(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide?

3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,4-bis(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide has a molecular weight of 2409.10 g/mol, XLogP of 32.04, 25 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,4-bis(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide is sourced from PubChem (CID 159346093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).