N'-cyclobutyl-8-fluoro-N'-[3-(5-fluoro-1H-indol-3-yl)butyl]-3,4-dihydro-2H-chromene-5-carbohydrazide

C26H29F2N3O2 — CID 90998293

About N'-cyclobutyl-8-fluoro-N'-[3-(5-fluoro-1H-indol-3-yl)butyl]-3,4-dihydro-2H-chromene-5-carbohydrazide

N'-cyclobutyl-8-fluoro-N'-[3-(5-fluoro-1H-indol-3-yl)butyl]-3,4-dihydro-2H-chromene-5-carbohydrazide (PubChem CID 90998293) has the molecular formula C26H29F2N3O2 and a molecular weight of 453.53 g/mol. Its IUPAC name is N'-cyclobutyl-8-fluoro-N'-[3-(5-fluoro-1H-indol-3-yl)butyl]-3,4-dihydro-2H-chromene-5-carbohydrazide.

Molecular Properties

• Compound Name: N'-cyclobutyl-8-fluoro-N'-[3-(5-fluoro-1H-indol-3-yl)butyl]-3,4-dihydro-2H-chromene-5-carbohydrazide
• PubChem CID: 90998293
• Molecular Formula: C26H29F2N3O2
• Molecular Weight: 453.53 g/mol
• Exact Mass: 453.22
• IUPAC Name: N'-cyclobutyl-8-fluoro-N'-[3-(5-fluoro-1H-indol-3-yl)butyl]-3,4-dihydro-2H-chromene-5-carbohydrazide
• SMILES: CC(CCN(NC(=O)c1ccc(F)c2c1CCCO2)C1CCC1)c1c[nH]c2ccc(F)cc12
• InChI: InChI=1S/C26H29F2N3O2/c1-16(22-15-29-24-10-7-17(27)14-21(22)24)11-12-31(18-4-2-5-18)30-26(32)20-8-9-23(28)25-19(20)6-3-13-33-25/h7-10,14-16,18,29H,2-6,11-13H2,1H3,(H,30,32)
• InChIKey: JSXQVOMAEFGJBN-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 57.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.53
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-cyclobutyl-8-fluoro-N'-[3-(5-fluoro-1H-indol-3-yl)butyl]-3,4-dihydro-2H-chromene-5-carbohydrazide?

The IUPAC name of N'-cyclobutyl-8-fluoro-N'-[3-(5-fluoro-1H-indol-3-yl)butyl]-3,4-dihydro-2H-chromene-5-carbohydrazide (CID 90998293) is N'-cyclobutyl-8-fluoro-N'-[3-(5-fluoro-1H-indol-3-yl)butyl]-3,4-dihydro-2H-chromene-5-carbohydrazide.

What is the SMILES notation for N'-cyclobutyl-8-fluoro-N'-[3-(5-fluoro-1H-indol-3-yl)butyl]-3,4-dihydro-2H-chromene-5-carbohydrazide?

The canonical SMILES for N'-cyclobutyl-8-fluoro-N'-[3-(5-fluoro-1H-indol-3-yl)butyl]-3,4-dihydro-2H-chromene-5-carbohydrazide is CC(CCN(NC(=O)c1ccc(F)c2c1CCCO2)C1CCC1)c1c[nH]c2ccc(F)cc12.

What is the InChIKey of N'-cyclobutyl-8-fluoro-N'-[3-(5-fluoro-1H-indol-3-yl)butyl]-3,4-dihydro-2H-chromene-5-carbohydrazide?

The InChIKey is JSXQVOMAEFGJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N3O2/c1-16(22-15-29-24-10-7-17(27)14-21(22)24)11-12-31(18-4-2-5-18)30-26(32)20-8-9-23(28)25-19(20)6-3-13-33-25/h7-10,14-16,18,29H,2-6,11-13H2,1H3,(H,30,32).

What are the key properties of N'-cyclobutyl-8-fluoro-N'-[3-(5-fluoro-1H-indol-3-yl)butyl]-3,4-dihydro-2H-chromene-5-carbohydrazide?

N'-cyclobutyl-8-fluoro-N'-[3-(5-fluoro-1H-indol-3-yl)butyl]-3,4-dihydro-2H-chromene-5-carbohydrazide has a molecular weight of 453.53 g/mol, XLogP of 5.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N'-cyclobutyl-8-fluoro-N'-[3-(5-fluoro-1H-indol-3-yl)butyl]-3,4-dihydro-2H-chromene-5-carbohydrazide is sourced from PubChem (CID 90998293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).