(3R)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one

C22H16Cl2N2O3 — CID 40963900

About (3R)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one

(3R)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one (PubChem CID 40963900) has the molecular formula C22H16Cl2N2O3 and a molecular weight of 427.29 g/mol. Its IUPAC name is (3R)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one.

Molecular Properties

• Compound Name: (3R)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one
• PubChem CID: 40963900
• Molecular Formula: C22H16Cl2N2O3
• Molecular Weight: 427.29 g/mol
• Exact Mass: 426.05
• IUPAC Name: (3R)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one
• SMILES: O=C(C[C@]1(O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21)c1cccnc1
• InChI: InChI=1S/C22H16Cl2N2O3/c23-17-8-7-14(10-18(17)24)13-26-19-6-2-1-5-16(19)22(29,21(26)28)11-20(27)15-4-3-9-25-12-15/h1-10,12,29H,11,13H2/t22-/m1/s1
• InChIKey: GTXUBOFNWGRMGH-JOCHJYFZSA-N
• XLogP: 4.40
• TPSA: 70.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.29
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one?

The IUPAC name of (3R)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one (CID 40963900) is (3R)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one.

What is the SMILES notation for (3R)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one?

The canonical SMILES for (3R)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one is O=C(C[C@]1(O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21)c1cccnc1.

What is the InChIKey of (3R)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one?

The InChIKey is GTXUBOFNWGRMGH-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H16Cl2N2O3/c23-17-8-7-14(10-18(17)24)13-26-19-6-2-1-5-16(19)22(29,21(26)28)11-20(27)15-4-3-9-25-12-15/h1-10,12,29H,11,13H2/t22-/m1/s1.

What are the key properties of (3R)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one?

(3R)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one has a molecular weight of 427.29 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one is sourced from PubChem (CID 40963900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).