1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-fluoro-2,3-dihydro-1H-indol-5-yl)cyclopropane-1-carboxamide

C23H25FN2O3 — CID 71164078

About 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-fluoro-2,3-dihydro-1H-indol-5-yl)cyclopropane-1-carboxamide

1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-fluoro-2,3-dihydro-1H-indol-5-yl)cyclopropane-1-carboxamide (PubChem CID 71164078) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-fluoro-2,3-dihydro-1H-indol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-fluoro-2,3-dihydro-1H-indol-5-yl)cyclopropane-1-carboxamide
• PubChem CID: 71164078
• Molecular Formula: C23H25FN2O3
• Molecular Weight: 396.46 g/mol
• Exact Mass: 396.18
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-fluoro-2,3-dihydro-1H-indol-5-yl)cyclopropane-1-carboxamide
• SMILES: CC(C)(C)C1Cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc(F)c2N1
• InChI: InChI=1S/C23H25FN2O3/c1-22(2,3)19-9-13-8-15(11-16(24)20(13)26-19)25-21(27)23(6-7-23)14-4-5-17-18(10-14)29-12-28-17/h4-5,8,10-11,19,26H,6-7,9,12H2,1-3H3,(H,25,27)
• InChIKey: DFAGHFNWOFVDQS-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 59.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.46
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-fluoro-2,3-dihydro-1H-indol-5-yl)cyclopropane-1-carboxamide?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-fluoro-2,3-dihydro-1H-indol-5-yl)cyclopropane-1-carboxamide (CID 71164078) is 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-fluoro-2,3-dihydro-1H-indol-5-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-fluoro-2,3-dihydro-1H-indol-5-yl)cyclopropane-1-carboxamide?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-fluoro-2,3-dihydro-1H-indol-5-yl)cyclopropane-1-carboxamide is CC(C)(C)C1Cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc(F)c2N1.

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-fluoro-2,3-dihydro-1H-indol-5-yl)cyclopropane-1-carboxamide?

The InChIKey is DFAGHFNWOFVDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3/c1-22(2,3)19-9-13-8-15(11-16(24)20(13)26-19)25-21(27)23(6-7-23)14-4-5-17-18(10-14)29-12-28-17/h4-5,8,10-11,19,26H,6-7,9,12H2,1-3H3,(H,25,27).

What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-fluoro-2,3-dihydro-1H-indol-5-yl)cyclopropane-1-carboxamide?

1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-fluoro-2,3-dihydro-1H-indol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 396.46 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-fluoro-2,3-dihydro-1H-indol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 71164078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).