N-[1-[(2-fluorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-oxochromen-7-yl)oxyacetamide

C26H18FN3O5 — CID 137179333

About N-[1-[(2-fluorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-oxochromen-7-yl)oxyacetamide

N-[1-[(2-fluorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 137179333) has the molecular formula C26H18FN3O5 and a molecular weight of 471.44 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

• Compound Name: N-[1-[(2-fluorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-oxochromen-7-yl)oxyacetamide
• PubChem CID: 137179333
• Molecular Formula: C26H18FN3O5
• Molecular Weight: 471.44 g/mol
• Exact Mass: 471.12
• IUPAC Name: N-[1-[(2-fluorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-oxochromen-7-yl)oxyacetamide
• SMILES: O=C(COc1ccc2ccc(=O)oc2c1)/N=N/c1c(O)n(Cc2ccccc2F)c2ccccc12
• InChI: InChI=1S/C26H18FN3O5/c27-20-7-3-1-5-17(20)14-30-21-8-4-2-6-19(21)25(26(30)33)29-28-23(31)15-34-18-11-9-16-10-12-24(32)35-22(16)13-18/h1-13,33H,14-15H2/b29-28+
• InChIKey: SIXLXOYOGSHOTG-ZQHSETAFSA-N
• XLogP: 5.33
• TPSA: 106.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.44
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-oxochromen-7-yl)oxyacetamide?

The IUPAC name of N-[1-[(2-fluorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-oxochromen-7-yl)oxyacetamide (CID 137179333) is N-[1-[(2-fluorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-oxochromen-7-yl)oxyacetamide.

What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-oxochromen-7-yl)oxyacetamide?

The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-oxochromen-7-yl)oxyacetamide is O=C(COc1ccc2ccc(=O)oc2c1)/N=N/c1c(O)n(Cc2ccccc2F)c2ccccc12.

What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-oxochromen-7-yl)oxyacetamide?

The InChIKey is SIXLXOYOGSHOTG-ZQHSETAFSA-N. The full InChI is InChI=1S/C26H18FN3O5/c27-20-7-3-1-5-17(20)14-30-21-8-4-2-6-19(21)25(26(30)33)29-28-23(31)15-34-18-11-9-16-10-12-24(32)35-22(16)13-18/h1-13,33H,14-15H2/b29-28+.

What are the key properties of N-[1-[(2-fluorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-oxochromen-7-yl)oxyacetamide?

N-[1-[(2-fluorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 471.44 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2-fluorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 137179333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).