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

C26H21Cl2FN2O2 — CID 25142613

IUPAC(3R,4'R,6'S)-4-chloro-6'-(3-chlorophenyl)-4'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-azepane]-2,2'-dione
SMILESCc1ccc(F)cc1[C@H]1CC(=O)NC[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cccc(Cl)c12
InChIInChI=1S/C26H21Cl2FN2O2/c1-14-8-9-17(29)11-18(14)19-12-23(32)30-13-20(15-4-2-5-16(27)10-15)26(19)24-21(28)6-3-7-22(24)31-25(26)33/h2-11,19-20H,12-13H2,1H3,(H,30,32)(H,31,33)/t19-,20+,26-/m1/s1
InChIKeyHUYREONJKXARDY-BVFVYWQFSA-N
MW483.37 g/mol
LogP5.72
Rot. Bonds2

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

(3R,4'R,6'S)-4-chloro-6'-(3-chlorophenyl)-4'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-azepane]-2,2'-dione (PubChem CID 25142613) has the molecular formula C26H21Cl2FN2O2 and a molecular weight of 483.37 g/mol. Its IUPAC name is (3R,4'R,6'S)-4-chloro-6'-(3-chlorophenyl)-4'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-azepane]-2,2'-dione.

Molecular Properties

Compound Name(3R,4'R,6'S)-4-chloro-6'-(3-chlorophenyl)-4'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-azepane]-2,2'-dione
PubChem CID25142613
Molecular FormulaC26H21Cl2FN2O2
Molecular Weight483.37 g/mol
Exact Mass482.10
IUPAC Name(3R,4'R,6'S)-4-chloro-6'-(3-chlorophenyl)-4'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-azepane]-2,2'-dione
SMILESCc1ccc(F)cc1[C@H]1CC(=O)NC[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cccc(Cl)c12
InChIInChI=1S/C26H21Cl2FN2O2/c1-14-8-9-17(29)11-18(14)19-12-23(32)30-13-20(15-4-2-5-16(27)10-15)26(19)24-21(28)6-3-7-22(24)31-25(26)33/h2-11,19-20H,12-13H2,1H3,(H,30,32)(H,31,33)/t19-,20+,26-/m1/s1
InChIKeyHUYREONJKXARDY-BVFVYWQFSA-N
XLogP5.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.37
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R,4'R,6'S)-4-chloro-6'-(3-chlorophenyl)-4'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-azepane]-2,2'-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Spiro-oxindole, 5
CID 11526064
Spiro-oxindole, 7
CID 11620161
Spiro-oxindole, 6
CID 11663211
3-{4-[4-(3-Chloro-4-fluorophenyl)-piperazin-1-yl]-butyl}-3-ethyl-1,3-dihydro-2H-indol-2-one
CID 24853955
3-{4-[4-(3-Chlorophenyl)-piperazin-1-yl]-butyl}-3-ethyl-6-fluoro-1,3-dihydro-2H-indol-2-one
CID 24854041
3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3-ethyl-5-fluoro-1H-indol-2-one
CID 11633354
(R)-1-(1-(3-chloro-5-fluorophenyl)-3-(methylamino)propyl)-7-fluoro-3,3-dimethylindolin-2-one
CID 16067839
(R)-1-(1-(3-chlorophenyl)-3-(methylamino)propyl)-7-fluoro-3,3-dimethylindolin-2-one
CID 16067943
7-chloro-3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3-ethyl-5-fluoro-1H-indol-2-one
CID 24854043
5-chloro-3-{4-[4-(4-chlorophenyl)-piperazin-1-yl]-butyl}-3-ethyl-6-fluoro-1,3-dihydro-2H-indol-2-one
CID 24854103
5-chloro-3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3-ethyl-6-fluoro-1H-indol-2-one
CID 24854266
(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

Frequently Asked Questions

What is the IUPAC name of (3R,4'R,6'S)-4-chloro-6'-(3-chlorophenyl)-4'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-azepane]-2,2'-dione?
The IUPAC name of (3R,4'R,6'S)-4-chloro-6'-(3-chlorophenyl)-4'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-azepane]-2,2'-dione (CID 25142613) is (3R,4'R,6'S)-4-chloro-6'-(3-chlorophenyl)-4'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-azepane]-2,2'-dione.
What is the SMILES notation for (3R,4'R,6'S)-4-chloro-6'-(3-chlorophenyl)-4'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-azepane]-2,2'-dione?
The canonical SMILES for (3R,4'R,6'S)-4-chloro-6'-(3-chlorophenyl)-4'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-azepane]-2,2'-dione is Cc1ccc(F)cc1[C@H]1CC(=O)NC[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cccc(Cl)c12.
What is the InChIKey of (3R,4'R,6'S)-4-chloro-6'-(3-chlorophenyl)-4'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-azepane]-2,2'-dione?
The InChIKey is HUYREONJKXARDY-BVFVYWQFSA-N. The full InChI is InChI=1S/C26H21Cl2FN2O2/c1-14-8-9-17(29)11-18(14)19-12-23(32)30-13-20(15-4-2-5-16(27)10-15)26(19)24-21(28)6-3-7-22(24)31-25(26)33/h2-11,19-20H,12-13H2,1H3,(H,30,32)(H,31,33)/t19-,20+,26-/m1/s1.
What are the key properties of (3R,4'R,6'S)-4-chloro-6'-(3-chlorophenyl)-4'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-azepane]-2,2'-dione?
(3R,4'R,6'S)-4-chloro-6'-(3-chlorophenyl)-4'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-azepane]-2,2'-dione has a molecular weight of 483.37 g/mol, XLogP of 5.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4'R,6'S)-4-chloro-6'-(3-chlorophenyl)-4'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-azepane]-2,2'-dione is sourced from PubChem (CID 25142613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).