N-(2-tert-butyl-6-cyano-2,3-dihydro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide

C24H23F2N3O3 — CID 71164175

About N-(2-tert-butyl-6-cyano-2,3-dihydro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide

N-(2-tert-butyl-6-cyano-2,3-dihydro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide (PubChem CID 71164175) has the molecular formula C24H23F2N3O3 and a molecular weight of 439.46 g/mol. Its IUPAC name is N-(2-tert-butyl-6-cyano-2,3-dihydro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-(2-tert-butyl-6-cyano-2,3-dihydro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
• PubChem CID: 71164175
• Molecular Formula: C24H23F2N3O3
• Molecular Weight: 439.46 g/mol
• Exact Mass: 439.17
• IUPAC Name: N-(2-tert-butyl-6-cyano-2,3-dihydro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
• SMILES: CC(C)(C)C1Cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(C#N)cc2N1
• InChI: InChI=1S/C24H23F2N3O3/c1-22(2,3)20-10-13-8-17(14(12-27)9-16(13)28-20)29-21(30)23(6-7-23)15-4-5-18-19(11-15)32-24(25,26)31-18/h4-5,8-9,11,20,28H,6-7,10H2,1-3H3,(H,29,30)
• InChIKey: LMIOARXTLFNVCE-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 83.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.46
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-6-cyano-2,3-dihydro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide?

The IUPAC name of N-(2-tert-butyl-6-cyano-2,3-dihydro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide (CID 71164175) is N-(2-tert-butyl-6-cyano-2,3-dihydro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for N-(2-tert-butyl-6-cyano-2,3-dihydro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide?

The canonical SMILES for N-(2-tert-butyl-6-cyano-2,3-dihydro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide is CC(C)(C)C1Cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(C#N)cc2N1.

What is the InChIKey of N-(2-tert-butyl-6-cyano-2,3-dihydro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide?

The InChIKey is LMIOARXTLFNVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O3/c1-22(2,3)20-10-13-8-17(14(12-27)9-16(13)28-20)29-21(30)23(6-7-23)15-4-5-18-19(11-15)32-24(25,26)31-18/h4-5,8-9,11,20,28H,6-7,10H2,1-3H3,(H,29,30).

What are the key properties of N-(2-tert-butyl-6-cyano-2,3-dihydro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide?

N-(2-tert-butyl-6-cyano-2,3-dihydro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 439.46 g/mol, XLogP of 4.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-tert-butyl-6-cyano-2,3-dihydro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 71164175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).