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

C24H21F2IN2O3 — CID 137367502

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

N-[(3,5-difluorophenyl)methyl]-4-iodo-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide (PubChem CID 137367502) has the molecular formula C24H21F2IN2O3 and a molecular weight of 550.34 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-4-iodo-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide.

Molecular Properties

• Compound Name: N-[(3,5-difluorophenyl)methyl]-4-iodo-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide
• PubChem CID: 137367502
• Molecular Formula: C24H21F2IN2O3
• Molecular Weight: 550.34 g/mol
• Exact Mass: 550.06
• IUPAC Name: N-[(3,5-difluorophenyl)methyl]-4-iodo-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide
• SMILES: Cc1ccc(CN2C(=O)C(C)(C)c3c(I)cc(C(=O)NCc4cc(F)cc(F)c4)cc32)o1
• InChI: InChI=1S/C24H21F2IN2O3/c1-13-4-5-18(32-13)12-29-20-9-15(8-19(27)21(20)24(2,3)23(29)31)22(30)28-11-14-6-16(25)10-17(26)7-14/h4-10H,11-12H2,1-3H3,(H,28,30)
• InChIKey: SKSMXPCYNXYWOW-UHFFFAOYSA-N
• XLogP: 5.23
• 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	550.34
LogP ≤ 5	5.23
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 N-[(3,5-difluorophenyl)methyl]-4-iodo-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide?

The IUPAC name of N-[(3,5-difluorophenyl)methyl]-4-iodo-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide (CID 137367502) is N-[(3,5-difluorophenyl)methyl]-4-iodo-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide.

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

The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-4-iodo-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide is Cc1ccc(CN2C(=O)C(C)(C)c3c(I)cc(C(=O)NCc4cc(F)cc(F)c4)cc32)o1.

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

The InChIKey is SKSMXPCYNXYWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2IN2O3/c1-13-4-5-18(32-13)12-29-20-9-15(8-19(27)21(20)24(2,3)23(29)31)22(30)28-11-14-6-16(25)10-17(26)7-14/h4-10H,11-12H2,1-3H3,(H,28,30).

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

N-[(3,5-difluorophenyl)methyl]-4-iodo-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide has a molecular weight of 550.34 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,5-difluorophenyl)methyl]-4-iodo-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide is sourced from PubChem (CID 137367502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).