1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-2-(trifluoromethyl)indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen

C24H27F3N2O5 — CID 158917689

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-2-(trifluoromethyl)indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-2-(trifluoromethyl)indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 158917689) has the molecular formula C24H27F3N2O5 and a molecular weight of 480.48 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-2-(trifluoromethyl)indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-2-(trifluoromethyl)indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 158917689
• Molecular Formula: C24H27F3N2O5
• Molecular Weight: 480.48 g/mol
• Exact Mass: 480.19
• IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-2-(trifluoromethyl)indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen
• SMILES: O=C(Nc1ccc2c(c1)cc(C(F)(F)F)n2C[C@@H](O)CO)C1(c2ccc3c(c2)OCCO3)CC1.[H][H].[H][H]
• InChI: InChI=1S/C24H23F3N2O5.2H2/c25-24(26,27)21-10-14-9-16(2-3-18(14)29(21)12-17(31)13-30)28-22(32)23(5-6-23)15-1-4-19-20(11-15)34-8-7-33-19;;/h1-4,9-11,17,30-31H,5-8,12-13H2,(H,28,32);2*1H/t17-;;/m1../s1
• InChIKey: JHLBIZXJODKFEG-ZEECNFPPSA-N
• XLogP: 3.95
• TPSA: 92.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.48
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-2-(trifluoromethyl)indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen?

The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-2-(trifluoromethyl)indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen (CID 158917689) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-2-(trifluoromethyl)indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-2-(trifluoromethyl)indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen?

The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-2-(trifluoromethyl)indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen is O=C(Nc1ccc2c(c1)cc(C(F)(F)F)n2C[C@@H](O)CO)C1(c2ccc3c(c2)OCCO3)CC1.[H][H].[H][H].

What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-2-(trifluoromethyl)indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen?

The InChIKey is JHLBIZXJODKFEG-ZEECNFPPSA-N. The full InChI is InChI=1S/C24H23F3N2O5.2H2/c25-24(26,27)21-10-14-9-16(2-3-18(14)29(21)12-17(31)13-30)28-22(32)23(5-6-23)15-1-4-19-20(11-15)34-8-7-33-19;;/h1-4,9-11,17,30-31H,5-8,12-13H2,(H,28,32);2*1H/t17-;;/m1../s1.

What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-2-(trifluoromethyl)indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen?

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-2-(trifluoromethyl)indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 480.48 g/mol, XLogP of 3.95, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-2-(trifluoromethyl)indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 158917689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).