(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxyindol-2-one

C23H16BrClFNO3 — CID 1425900

About (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxyindol-2-one

(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxyindol-2-one (PubChem CID 1425900) has the molecular formula C23H16BrClFNO3 and a molecular weight of 488.74 g/mol. Its IUPAC name is (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxyindol-2-one.

Molecular Properties

• Compound Name: (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxyindol-2-one
• PubChem CID: 1425900
• Molecular Formula: C23H16BrClFNO3
• Molecular Weight: 488.74 g/mol
• Exact Mass: 487.00
• IUPAC Name: (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxyindol-2-one
• SMILES: O=C(C[C@]1(O)C(=O)N(Cc2c(F)cccc2Cl)c2ccccc21)c1ccc(Br)cc1
• InChI: InChI=1S/C23H16BrClFNO3/c24-15-10-8-14(9-11-15)21(28)12-23(30)17-4-1-2-7-20(17)27(22(23)29)13-16-18(25)5-3-6-19(16)26/h1-11,30H,12-13H2/t23-/m1/s1
• InChIKey: WWXQDAHTODKEAL-HSZRJFAPSA-N
• XLogP: 5.25
• TPSA: 57.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.74
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxyindol-2-one?

The IUPAC name of (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxyindol-2-one (CID 1425900) is (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxyindol-2-one.

What is the SMILES notation for (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxyindol-2-one?

The canonical SMILES for (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxyindol-2-one is O=C(C[C@]1(O)C(=O)N(Cc2c(F)cccc2Cl)c2ccccc21)c1ccc(Br)cc1.

What is the InChIKey of (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxyindol-2-one?

The InChIKey is WWXQDAHTODKEAL-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H16BrClFNO3/c24-15-10-8-14(9-11-15)21(28)12-23(30)17-4-1-2-7-20(17)27(22(23)29)13-16-18(25)5-3-6-19(16)26/h1-11,30H,12-13H2/t23-/m1/s1.

What are the key properties of (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxyindol-2-one?

(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxyindol-2-one has a molecular weight of 488.74 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxyindol-2-one is sourced from PubChem (CID 1425900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).