3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(trifluoromethyl)-1H-indol-2-yl]amino]-N-hydroxybenzamide

C24H18F3N3O4 — CID 138488589

About 3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(trifluoromethyl)-1H-indol-2-yl]amino]-N-hydroxybenzamide

3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(trifluoromethyl)-1H-indol-2-yl]amino]-N-hydroxybenzamide (PubChem CID 138488589) has the molecular formula C24H18F3N3O4 and a molecular weight of 469.42 g/mol. Its IUPAC name is 3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(trifluoromethyl)-1H-indol-2-yl]amino]-N-hydroxybenzamide.

Molecular Properties

• Compound Name: 3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(trifluoromethyl)-1H-indol-2-yl]amino]-N-hydroxybenzamide
• PubChem CID: 138488589
• Molecular Formula: C24H18F3N3O4
• Molecular Weight: 469.42 g/mol
• Exact Mass: 469.12
• IUPAC Name: 3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(trifluoromethyl)-1H-indol-2-yl]amino]-N-hydroxybenzamide
• SMILES: O=C(NO)c1cccc(Nc2cc3cc(C(F)(F)F)c(-c4ccc5c(c4)OCCO5)cc3[nH]2)c1
• InChI: InChI=1S/C24H18F3N3O4/c25-24(26,27)18-9-15-11-22(28-16-3-1-2-14(8-16)23(31)30-32)29-19(15)12-17(18)13-4-5-20-21(10-13)34-7-6-33-20/h1-5,8-12,28-29,32H,6-7H2,(H,30,31)
• InChIKey: RPTALNVUTLYBKC-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 95.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.42
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(trifluoromethyl)-1H-indol-2-yl]amino]-N-hydroxybenzamide?

The IUPAC name of 3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(trifluoromethyl)-1H-indol-2-yl]amino]-N-hydroxybenzamide (CID 138488589) is 3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(trifluoromethyl)-1H-indol-2-yl]amino]-N-hydroxybenzamide.

What is the SMILES notation for 3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(trifluoromethyl)-1H-indol-2-yl]amino]-N-hydroxybenzamide?

The canonical SMILES for 3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(trifluoromethyl)-1H-indol-2-yl]amino]-N-hydroxybenzamide is O=C(NO)c1cccc(Nc2cc3cc(C(F)(F)F)c(-c4ccc5c(c4)OCCO5)cc3[nH]2)c1.

What is the InChIKey of 3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(trifluoromethyl)-1H-indol-2-yl]amino]-N-hydroxybenzamide?

The InChIKey is RPTALNVUTLYBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O4/c25-24(26,27)18-9-15-11-22(28-16-3-1-2-14(8-16)23(31)30-32)29-19(15)12-17(18)13-4-5-20-21(10-13)34-7-6-33-20/h1-5,8-12,28-29,32H,6-7H2,(H,30,31).

What are the key properties of 3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(trifluoromethyl)-1H-indol-2-yl]amino]-N-hydroxybenzamide?

3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(trifluoromethyl)-1H-indol-2-yl]amino]-N-hydroxybenzamide has a molecular weight of 469.42 g/mol, XLogP of 5.49, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(trifluoromethyl)-1H-indol-2-yl]amino]-N-hydroxybenzamide is sourced from PubChem (CID 138488589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).