1-[(2-chloro-6-fluorophenyl)methyl]-N-[(5-hydroxy-1-benzofuran-2-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide

C27H22ClFN2O4 — CID 146592698

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

1-[(2-chloro-6-fluorophenyl)methyl]-N-[(5-hydroxy-1-benzofuran-2-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide (PubChem CID 146592698) has the molecular formula C27H22ClFN2O4 and a molecular weight of 492.93 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(5-hydroxy-1-benzofuran-2-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide.

Molecular Properties

• Compound Name: 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(5-hydroxy-1-benzofuran-2-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide
• PubChem CID: 146592698
• Molecular Formula: C27H22ClFN2O4
• Molecular Weight: 492.93 g/mol
• Exact Mass: 492.13
• IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(5-hydroxy-1-benzofuran-2-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide
• SMILES: CC1(C)C(=O)N(Cc2c(F)cccc2Cl)c2cc(C(=O)NCc3cc4cc(O)ccc4o3)ccc21
• InChI: InChI=1S/C27H22ClFN2O4/c1-27(2)20-8-6-15(25(33)30-13-18-11-16-10-17(32)7-9-24(16)35-18)12-23(20)31(26(27)34)14-19-21(28)4-3-5-22(19)29/h3-12,32H,13-14H2,1-2H3,(H,30,33)
• InChIKey: IUGLCHWZKYFHAG-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 82.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.93
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(5-hydroxy-1-benzofuran-2-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide (CID 146592698) is 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(5-hydroxy-1-benzofuran-2-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide.

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

The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(5-hydroxy-1-benzofuran-2-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide is CC1(C)C(=O)N(Cc2c(F)cccc2Cl)c2cc(C(=O)NCc3cc4cc(O)ccc4o3)ccc21.

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

The InChIKey is IUGLCHWZKYFHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClFN2O4/c1-27(2)20-8-6-15(25(33)30-13-18-11-16-10-17(32)7-9-24(16)35-18)12-23(20)31(26(27)34)14-19-21(28)4-3-5-22(19)29/h3-12,32H,13-14H2,1-2H3,(H,30,33).

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

1-[(2-chloro-6-fluorophenyl)methyl]-N-[(5-hydroxy-1-benzofuran-2-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide has a molecular weight of 492.93 g/mol, XLogP of 5.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(5-hydroxy-1-benzofuran-2-yl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide is sourced from PubChem (CID 146592698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).