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

C159H163F19N10O22 — CID 158961935

About 3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide;3-(3-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;2-[(4-tert-butylphenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;3-(6-tert-butyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]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-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide;3-(3-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;2-[(4-tert-butylphenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;3-(6-tert-butyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide (PubChem CID 158961935) has the molecular formula C159H163F19N10O22 and a molecular weight of 2927.06 g/mol. Its IUPAC name is 3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide;3-(3-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;2-[(4-tert-butylphenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;3-(6-tert-butyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]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-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide;3-(3-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;2-[(4-tert-butylphenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;3-(6-tert-butyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide
• PubChem CID: 158961935
• Molecular Formula: C159H163F19N10O22
• Molecular Weight: 2927.06 g/mol
• Exact Mass: 2925.16
• IUPAC Name: 3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide;3-(3-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;2-[(4-tert-butylphenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;3-(6-tert-butyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide
• SMILES: CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)cn1.CC(C)(C)c1cccc(CCC(=O)Nc2ccc3c(c2)OCCO3)c1.CC(Cc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2c(c1)OCCO2.CCC(Cc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2c(c1)OCCO2.O=C(CCc1ccc(C(F)(F)F)c(F)c1F)Nc1ccc2c(c1)OCCO2.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.O=C(CCc1ccc(C(F)(F)F)cc1F)Nc1ccc2c(c1)OCCO2
• InChI: InChI=1S/C23H29NO3.C22H27NO3.C21H25NO3.C20H24N2O3.C19H15F6NO3.C18H14F5NO3.C18H14F4N2O.C18H15F4NO3/c1-5-17(14-16-6-8-18(9-7-16)23(2,3)4)22(25)24-19-10-11-20-21(15-19)27-13-12-26-20;1-15(13-16-5-7-17(8-6-16)22(2,3)4)21(24)23-18-9-10-19-20(14-18)26-12-11-25-19;1-21(2,3)16-6-4-5-15(13-16)7-10-20(23)22-17-8-9-18-19(14-17)25-12-11-24-18;1-20(2,3)18-8-4-14(13-21-18)5-9-19(23)22-15-6-7-16-17(12-15)25-11-10-24-16;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(1-4-12(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;19-14-9-12(18(20,21)22)3-1-11(14)2-6-17(24)23-13-4-5-15-16(10-13)26-8-7-25-15/h6-11,15,17H,5,12-14H2,1-4H3,(H,24,25);5-10,14-15H,11-13H2,1-4H3,(H,23,24);4-6,8-9,13-14H,7,10-12H2,1-3H3,(H,22,23);4,6-8,12-13H,5,9-11H2,1-3H3,(H,22,23);1,3-5,9-10H,2,6-8H2,(H,26,27);1,3-5,9H,2,6-8H2,(H,24,25);1,3-5,7-10,23H,2,6H2,(H,24,25);1,3-5,9-10H,2,6-8H2,(H,23,24)
• InChIKey: JMSPRIWYNSKNFC-UHFFFAOYSA-N
• XLogP: 36.06
• TPSA: 390.70 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Rotatable Bonds: 33
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2927.06
LogP ≤ 5	36.06
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

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-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide;3-(3-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;2-[(4-tert-butylphenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;3-(6-tert-butyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]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-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide;3-(3-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;2-[(4-tert-butylphenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;3-(6-tert-butyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide (CID 158961935) is 3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide;3-(3-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;2-[(4-tert-butylphenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;3-(6-tert-butyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]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-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide;3-(3-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;2-[(4-tert-butylphenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;3-(6-tert-butyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]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-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide;3-(3-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;2-[(4-tert-butylphenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;3-(6-tert-butyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide is CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)cn1.CC(C)(C)c1cccc(CCC(=O)Nc2ccc3c(c2)OCCO3)c1.CC(Cc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2c(c1)OCCO2.CCC(Cc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2c(c1)OCCO2.O=C(CCc1ccc(C(F)(F)F)c(F)c1F)Nc1ccc2c(c1)OCCO2.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.O=C(CCc1ccc(C(F)(F)F)cc1F)Nc1ccc2c(c1)OCCO2.

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

The InChIKey is JMSPRIWYNSKNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3.C22H27NO3.C21H25NO3.C20H24N2O3.C19H15F6NO3.C18H14F5NO3.C18H14F4N2O.C18H15F4NO3/c1-5-17(14-16-6-8-18(9-7-16)23(2,3)4)22(25)24-19-10-11-20-21(15-19)27-13-12-26-20;1-15(13-16-5-7-17(8-6-16)22(2,3)4)21(24)23-18-9-10-19-20(14-18)26-12-11-25-19;1-21(2,3)16-6-4-5-15(13-16)7-10-20(23)22-17-8-9-18-19(14-17)25-12-11-24-18;1-20(2,3)18-8-4-14(13-21-18)5-9-19(23)22-15-6-7-16-17(12-15)25-11-10-24-16;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(1-4-12(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;19-14-9-12(18(20,21)22)3-1-11(14)2-6-17(24)23-13-4-5-15-16(10-13)26-8-7-25-15/h6-11,15,17H,5,12-14H2,1-4H3,(H,24,25);5-10,14-15H,11-13H2,1-4H3,(H,23,24);4-6,8-9,13-14H,7,10-12H2,1-3H3,(H,22,23);4,6-8,12-13H,5,9-11H2,1-3H3,(H,22,23);1,3-5,9-10H,2,6-8H2,(H,26,27);1,3-5,9H,2,6-8H2,(H,24,25);1,3-5,7-10,23H,2,6H2,(H,24,25);1,3-5,9-10H,2,6-8H2,(H,23,24).

What are the key properties of 3-[2,4-bis(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide;3-(3-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;2-[(4-tert-butylphenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;3-(6-tert-butyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]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-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide;3-(3-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;2-[(4-tert-butylphenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;3-(6-tert-butyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide has a molecular weight of 2927.06 g/mol, XLogP of 36.06, 33 rotatable bonds, 9 hydrogen bond donors, and 23 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-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide;3-(3-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;2-[(4-tert-butylphenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;3-(6-tert-butyl-3-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[2,3-difluoro-4-(trifluoromethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-5-yl)propanamide is sourced from PubChem (CID 158961935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).