(2R,3R)-6'-chloro-4-(3-chlorophenyl)-2-(5-fluoro-2-methylphenyl)spiro[1,2-dihydropyridine-3,3'-1H-indole]-2',6-dione

C25H17Cl2FN2O2 — CID 46853723

IUPAC(2R,3R)-6'-chloro-4-(3-chlorophenyl)-2-(5-fluoro-2-methylphenyl)spiro[1,2-dihydropyridine-3,3'-1H-indole]-2',6-dione
SMILESCc1ccc(F)cc1[C@H]1NC(=O)C=C(c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C25H17Cl2FN2O2/c1-13-5-7-17(28)11-18(13)23-25(19-8-6-16(27)10-21(19)29-24(25)32)20(12-22(31)30-23)14-3-2-4-15(26)9-14/h2-12,23H,1H3,(H,29,32)(H,30,31)/t23-,25+/m1/s1
InChIKeyVYRXUNOVSRMWJI-NOZRDPDXSA-N
MW467.33 g/mol
LogP5.59
Rot. Bonds2

About (2R,3R)-6'-chloro-4-(3-chlorophenyl)-2-(5-fluoro-2-methylphenyl)spiro[1,2-dihydropyridine-3,3'-1H-indole]-2',6-dione

(2R,3R)-6'-chloro-4-(3-chlorophenyl)-2-(5-fluoro-2-methylphenyl)spiro[1,2-dihydropyridine-3,3'-1H-indole]-2',6-dione (PubChem CID 46853723) has the molecular formula C25H17Cl2FN2O2 and a molecular weight of 467.33 g/mol. Its IUPAC name is (2R,3R)-6'-chloro-4-(3-chlorophenyl)-2-(5-fluoro-2-methylphenyl)spiro[1,2-dihydropyridine-3,3'-1H-indole]-2',6-dione.

Molecular Properties

Compound Name(2R,3R)-6'-chloro-4-(3-chlorophenyl)-2-(5-fluoro-2-methylphenyl)spiro[1,2-dihydropyridine-3,3'-1H-indole]-2',6-dione
PubChem CID46853723
Molecular FormulaC25H17Cl2FN2O2
Molecular Weight467.33 g/mol
Exact Mass466.07
IUPAC Name(2R,3R)-6'-chloro-4-(3-chlorophenyl)-2-(5-fluoro-2-methylphenyl)spiro[1,2-dihydropyridine-3,3'-1H-indole]-2',6-dione
SMILESCc1ccc(F)cc1[C@H]1NC(=O)C=C(c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C25H17Cl2FN2O2/c1-13-5-7-17(28)11-18(13)23-25(19-8-6-16(27)10-21(19)29-24(25)32)20(12-22(31)30-23)14-3-2-4-15(26)9-14/h2-12,23H,1H3,(H,29,32)(H,30,31)/t23-,25+/m1/s1
InChIKeyVYRXUNOVSRMWJI-NOZRDPDXSA-N
XLogP5.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.33
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-6'-chloro-4-(3-chlorophenyl)-2-(5-fluoro-2-methylphenyl)spiro[1,2-dihydropyridine-3,3'-1H-indole]-2',6-dione?
The IUPAC name of (2R,3R)-6'-chloro-4-(3-chlorophenyl)-2-(5-fluoro-2-methylphenyl)spiro[1,2-dihydropyridine-3,3'-1H-indole]-2',6-dione (CID 46853723) is (2R,3R)-6'-chloro-4-(3-chlorophenyl)-2-(5-fluoro-2-methylphenyl)spiro[1,2-dihydropyridine-3,3'-1H-indole]-2',6-dione.
What is the SMILES notation for (2R,3R)-6'-chloro-4-(3-chlorophenyl)-2-(5-fluoro-2-methylphenyl)spiro[1,2-dihydropyridine-3,3'-1H-indole]-2',6-dione?
The canonical SMILES for (2R,3R)-6'-chloro-4-(3-chlorophenyl)-2-(5-fluoro-2-methylphenyl)spiro[1,2-dihydropyridine-3,3'-1H-indole]-2',6-dione is Cc1ccc(F)cc1[C@H]1NC(=O)C=C(c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12.
What is the InChIKey of (2R,3R)-6'-chloro-4-(3-chlorophenyl)-2-(5-fluoro-2-methylphenyl)spiro[1,2-dihydropyridine-3,3'-1H-indole]-2',6-dione?
The InChIKey is VYRXUNOVSRMWJI-NOZRDPDXSA-N. The full InChI is InChI=1S/C25H17Cl2FN2O2/c1-13-5-7-17(28)11-18(13)23-25(19-8-6-16(27)10-21(19)29-24(25)32)20(12-22(31)30-23)14-3-2-4-15(26)9-14/h2-12,23H,1H3,(H,29,32)(H,30,31)/t23-,25+/m1/s1.
What are the key properties of (2R,3R)-6'-chloro-4-(3-chlorophenyl)-2-(5-fluoro-2-methylphenyl)spiro[1,2-dihydropyridine-3,3'-1H-indole]-2',6-dione?
(2R,3R)-6'-chloro-4-(3-chlorophenyl)-2-(5-fluoro-2-methylphenyl)spiro[1,2-dihydropyridine-3,3'-1H-indole]-2',6-dione has a molecular weight of 467.33 g/mol, XLogP of 5.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-6'-chloro-4-(3-chlorophenyl)-2-(5-fluoro-2-methylphenyl)spiro[1,2-dihydropyridine-3,3'-1H-indole]-2',6-dione is sourced from PubChem (CID 46853723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).