1-[(2-chloro-6-fluorophenyl)methyl]-4-iodo-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide

C24H21ClFIN2O3 — CID 137367709

About 1-[(2-chloro-6-fluorophenyl)methyl]-4-iodo-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide

1-[(2-chloro-6-fluorophenyl)methyl]-4-iodo-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide (PubChem CID 137367709) has the molecular formula C24H21ClFIN2O3 and a molecular weight of 566.80 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-4-iodo-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide.

Molecular Properties

• Compound Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-iodo-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide
• PubChem CID: 137367709
• Molecular Formula: C24H21ClFIN2O3
• Molecular Weight: 566.80 g/mol
• Exact Mass: 566.03
• IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-iodo-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide
• SMILES: Cc1ccc(CNC(=O)c2cc(I)c3c(c2)N(Cc2c(F)cccc2Cl)C(=O)C3(C)C)o1
• InChI: InChI=1S/C24H21ClFIN2O3/c1-13-7-8-15(32-13)11-28-22(30)14-9-19(27)21-20(10-14)29(23(31)24(21,2)3)12-16-17(25)5-4-6-18(16)26/h4-10H,11-12H2,1-3H3,(H,28,30)
• InChIKey: MAAHADHMANDISG-UHFFFAOYSA-N
• XLogP: 5.74
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.80
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-4-iodo-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide?

The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-4-iodo-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide (CID 137367709) is 1-[(2-chloro-6-fluorophenyl)methyl]-4-iodo-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide.

What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-4-iodo-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide?

The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-4-iodo-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide is Cc1ccc(CNC(=O)c2cc(I)c3c(c2)N(Cc2c(F)cccc2Cl)C(=O)C3(C)C)o1.

What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-4-iodo-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide?

The InChIKey is MAAHADHMANDISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFIN2O3/c1-13-7-8-15(32-13)11-28-22(30)14-9-19(27)21-20(10-14)29(23(31)24(21,2)3)12-16-17(25)5-4-6-18(16)26/h4-10H,11-12H2,1-3H3,(H,28,30).

What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-4-iodo-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide?

1-[(2-chloro-6-fluorophenyl)methyl]-4-iodo-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide has a molecular weight of 566.80 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-chloro-6-fluorophenyl)methyl]-4-iodo-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide is sourced from PubChem (CID 137367709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).