1'-bromo-3-(3-chlorophenyl)-5-methoxyspiro[cyclohexane-4,3'-indole]-1,2'-dione

C20H17BrClNO3 — CID 141220685

IUPAC1'-bromo-3-(3-chlorophenyl)-5-methoxyspiro[cyclohexane-4,3'-indole]-1,2'-dione
SMILESCOC1CC(=O)CC(c2cccc(Cl)c2)C12C(=O)N(Br)c1ccccc12
InChIInChI=1S/C20H17BrClNO3/c1-26-18-11-14(24)10-16(12-5-4-6-13(22)9-12)20(18)15-7-2-3-8-17(15)23(21)19(20)25/h2-9,16,18H,10-11H2,1H3
InChIKeyLPRFATUYZMBUPX-UHFFFAOYSA-N
MW434.72 g/mol
LogP4.40
Rot. Bonds2

About 1'-bromo-3-(3-chlorophenyl)-5-methoxyspiro[cyclohexane-4,3'-indole]-1,2'-dione

1'-bromo-3-(3-chlorophenyl)-5-methoxyspiro[cyclohexane-4,3'-indole]-1,2'-dione (PubChem CID 141220685) has the molecular formula C20H17BrClNO3 and a molecular weight of 434.72 g/mol. Its IUPAC name is 1'-bromo-3-(3-chlorophenyl)-5-methoxyspiro[cyclohexane-4,3'-indole]-1,2'-dione.

Molecular Properties

Compound Name1'-bromo-3-(3-chlorophenyl)-5-methoxyspiro[cyclohexane-4,3'-indole]-1,2'-dione
PubChem CID141220685
Molecular FormulaC20H17BrClNO3
Molecular Weight434.72 g/mol
Exact Mass433.01
IUPAC Name1'-bromo-3-(3-chlorophenyl)-5-methoxyspiro[cyclohexane-4,3'-indole]-1,2'-dione
SMILESCOC1CC(=O)CC(c2cccc(Cl)c2)C12C(=O)N(Br)c1ccccc12
InChIInChI=1S/C20H17BrClNO3/c1-26-18-11-14(24)10-16(12-5-4-6-13(22)9-12)20(18)15-7-2-3-8-17(15)23(21)19(20)25/h2-9,16,18H,10-11H2,1H3
InChIKeyLPRFATUYZMBUPX-UHFFFAOYSA-N
XLogP4.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.72
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

1'-bromo-2-(3-chlorophenyl)-4-hydroxyimino-6-methoxyspiro[cyclohexane-1,3'-indole]-2'-one
CID 141220686
1'-chloro-3-(3-chlorophenyl)-5-(3-methylphenyl)spiro[cyclohexane-4,3'-indole]-1,2'-dione
CID 141220681
(3R,3'S,5'S)-6-bromo-3'-(3-chlorophenyl)-5'-methoxyspiro[1H-indole-3,4'-cyclohexane]-1',2-dione;(3R,5'R)-6-bromo-5'-(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione;(3R,5'S)-6-bromo-5'-(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione
CID 159572325
(2'S,3S,4'E,6'S)-6-bromo-2'-(3-chlorophenyl)-4'-hydroxyimino-6'-methoxyspiro[1H-indole-3,1'-cyclohexane]-2-one
CID 87618663
6-chloro-4'-(3-chlorophenyl)-6'-methoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione
CID 68903435
(3R,4'S,6'S)-4-chloro-6'-(3-chlorophenyl)-4'-methoxy-1'-methylspiro[1H-indole-3,5'-azepane]-2,2'-dione
CID 68905036
6-bromo-6'-(3-chlorophenyl)-4'-methoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione
CID 68908407
(3'R,5'S)-5-chloro-3',5'-bis(3-chlorophenyl)spiro[1-benzofuran-3,4'-cyclohexane]-1',2-dione
CID 139260737
(4S,5R,6S)-6'-chloro-6-(3-chlorophenyl)-4-methoxy-1'-(2-trimethylsilylethoxymethyl)spiro[azepane-5,3'-indole]-2,2'-dione
CID 68903416
(3'S,5'R)-6-chloro-3'-(3-chlorophenyl)-5'-(3-fluorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 67212969
1'-chloro-4'-(3-chlorophenyl)-6'-prop-1-en-2-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 141183576
6-chloro-3'-(3-chloro-5-fluorophenyl)-5'-(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 67212911

Frequently Asked Questions

What is the IUPAC name of 1'-bromo-3-(3-chlorophenyl)-5-methoxyspiro[cyclohexane-4,3'-indole]-1,2'-dione?
The IUPAC name of 1'-bromo-3-(3-chlorophenyl)-5-methoxyspiro[cyclohexane-4,3'-indole]-1,2'-dione (CID 141220685) is 1'-bromo-3-(3-chlorophenyl)-5-methoxyspiro[cyclohexane-4,3'-indole]-1,2'-dione.
What is the SMILES notation for 1'-bromo-3-(3-chlorophenyl)-5-methoxyspiro[cyclohexane-4,3'-indole]-1,2'-dione?
The canonical SMILES for 1'-bromo-3-(3-chlorophenyl)-5-methoxyspiro[cyclohexane-4,3'-indole]-1,2'-dione is COC1CC(=O)CC(c2cccc(Cl)c2)C12C(=O)N(Br)c1ccccc12.
What is the InChIKey of 1'-bromo-3-(3-chlorophenyl)-5-methoxyspiro[cyclohexane-4,3'-indole]-1,2'-dione?
The InChIKey is LPRFATUYZMBUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrClNO3/c1-26-18-11-14(24)10-16(12-5-4-6-13(22)9-12)20(18)15-7-2-3-8-17(15)23(21)19(20)25/h2-9,16,18H,10-11H2,1H3.
What are the key properties of 1'-bromo-3-(3-chlorophenyl)-5-methoxyspiro[cyclohexane-4,3'-indole]-1,2'-dione?
1'-bromo-3-(3-chlorophenyl)-5-methoxyspiro[cyclohexane-4,3'-indole]-1,2'-dione has a molecular weight of 434.72 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-bromo-3-(3-chlorophenyl)-5-methoxyspiro[cyclohexane-4,3'-indole]-1,2'-dione is sourced from PubChem (CID 141220685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).