(3R)-N-[(3S)-6-chloro-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-5-fluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide

C23H15Cl2F2N3O3 — CID 176619740

About (3R)-N-[(3S)-6-chloro-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-5-fluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide

(3R)-N-[(3S)-6-chloro-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-5-fluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide (PubChem CID 176619740) has the molecular formula C23H15Cl2F2N3O3 and a molecular weight of 490.29 g/mol. Its IUPAC name is (3R)-N-[(3S)-6-chloro-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-5-fluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-[(3S)-6-chloro-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-5-fluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide
• PubChem CID: 176619740
• Molecular Formula: C23H15Cl2F2N3O3
• Molecular Weight: 490.29 g/mol
• Exact Mass: 489.05
• IUPAC Name: (3R)-N-[(3S)-6-chloro-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-5-fluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide
• SMILES: O=C1N[C@H](c2cc(F)ccc2Cl)c2c(NC(=O)N3C[C@H](O)c4cc(F)ccc43)cc(Cl)cc21
• InChI: InChI=1S/C23H15Cl2F2N3O3/c24-10-5-15-20(21(29-22(15)32)13-7-11(26)1-3-16(13)25)17(6-10)28-23(33)30-9-19(31)14-8-12(27)2-4-18(14)30/h1-8,19,21,31H,9H2,(H,28,33)(H,29,32)/t19-,21+/m0/s1
• InChIKey: FPKPQOZMGFZMCB-PZJWPPBQSA-N
• XLogP: 5.19
• TPSA: 81.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.29
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3S)-6-chloro-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-5-fluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide?

The IUPAC name of (3R)-N-[(3S)-6-chloro-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-5-fluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide (CID 176619740) is (3R)-N-[(3S)-6-chloro-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-5-fluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide.

What is the SMILES notation for (3R)-N-[(3S)-6-chloro-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-5-fluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide?

The canonical SMILES for (3R)-N-[(3S)-6-chloro-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-5-fluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide is O=C1N[C@H](c2cc(F)ccc2Cl)c2c(NC(=O)N3C[C@H](O)c4cc(F)ccc43)cc(Cl)cc21.

What is the InChIKey of (3R)-N-[(3S)-6-chloro-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-5-fluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide?

The InChIKey is FPKPQOZMGFZMCB-PZJWPPBQSA-N. The full InChI is InChI=1S/C23H15Cl2F2N3O3/c24-10-5-15-20(21(29-22(15)32)13-7-11(26)1-3-16(13)25)17(6-10)28-23(33)30-9-19(31)14-8-12(27)2-4-18(14)30/h1-8,19,21,31H,9H2,(H,28,33)(H,29,32)/t19-,21+/m0/s1.

What are the key properties of (3R)-N-[(3S)-6-chloro-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-5-fluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide?

(3R)-N-[(3S)-6-chloro-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-5-fluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide has a molecular weight of 490.29 g/mol, XLogP of 5.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[(3S)-6-chloro-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-5-fluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 176619740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).