1'-chloro-4'-(3-chlorophenyl)-6'-prop-1-en-2-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione

C21H18Cl2N2O2 — CID 141183576

IUPAC1'-chloro-4'-(3-chlorophenyl)-6'-prop-1-en-2-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESC=C(C)C1N(Cl)C(=O)CC(c2cccc(Cl)c2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C21H18Cl2N2O2/c1-12(2)19-21(15-8-3-4-9-17(15)24-20(21)27)16(11-18(26)25(19)23)13-6-5-7-14(22)10-13/h3-10,16,19H,1,11H2,2H3,(H,24,27)
InChIKeyPCVYAJTTYQSTJG-UHFFFAOYSA-N
MW401.29 g/mol
LogP4.64
Rot. Bonds2

About 1'-chloro-4'-(3-chlorophenyl)-6'-prop-1-en-2-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione

1'-chloro-4'-(3-chlorophenyl)-6'-prop-1-en-2-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione (PubChem CID 141183576) has the molecular formula C21H18Cl2N2O2 and a molecular weight of 401.29 g/mol. Its IUPAC name is 1'-chloro-4'-(3-chlorophenyl)-6'-prop-1-en-2-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione.

Molecular Properties

Compound Name1'-chloro-4'-(3-chlorophenyl)-6'-prop-1-en-2-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione
PubChem CID141183576
Molecular FormulaC21H18Cl2N2O2
Molecular Weight401.29 g/mol
Exact Mass400.07
IUPAC Name1'-chloro-4'-(3-chlorophenyl)-6'-prop-1-en-2-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione
SMILESC=C(C)C1N(Cl)C(=O)CC(c2cccc(Cl)c2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C21H18Cl2N2O2/c1-12(2)19-21(15-8-3-4-9-17(15)24-20(21)27)16(11-18(26)25(19)23)13-6-5-7-14(22)10-13/h3-10,16,19H,1,11H2,2H3,(H,24,27)
InChIKeyPCVYAJTTYQSTJG-UHFFFAOYSA-N
XLogP4.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.29
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1'-chloro-6'-(2-chlorophenyl)-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 141183541
1'-chloro-4'-(3-chlorophenyl)-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 141183585
(3R,5'R,7'S)-6-chloro-7'-(3-chlorophenyl)-5'-pent-1-en-2-ylspiro[1H-indole-3,6'-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine]-2-one
CID 66878971
(2'S,3S,4'E,6'S)-6-bromo-2'-(3-chlorophenyl)-4'-hydroxyimino-6'-prop-1-en-2-ylspiro[1H-indole-3,1'-cyclohexane]-2-one
CID 86624805
(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-1'-methyl-6'-(2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 24788928
6-chloro-6'-(3-chlorophenyl)-4'-phenylspiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 131727313
2-[6-chloro-4'-(3-chlorophenyl)-2'-(2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]acetic acid
CID 73315581
1',6'-bis(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 141183567
N-[2-[(3R,6'R,8'S)-6'-but-1-en-2-yl-6-chloro-8'-(3-chlorophenyl)-2,3'-dioxospiro[1H-indole-3,7'-4,6,8,9-tetrahydropyrido[2,1-c][1,2,4]triazine]-2'-yl]ethyl]acetamide
CID 59557329
6-chloro-4'-(3-chlorophenyl)-6'-(4-methylpent-1-en-2-yl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 69156437
6-chloro-4'-(3-chlorophenyl)-6'-phenylspiro[1H-indole-3,5'-azepane]-2,2'-dione
CID 91616341
(3S,4'R,6'S)-6-chloro-6'-(2-chlorophenyl)-4'-(3-chlorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 68958160

Frequently Asked Questions

What is the IUPAC name of 1'-chloro-4'-(3-chlorophenyl)-6'-prop-1-en-2-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The IUPAC name of 1'-chloro-4'-(3-chlorophenyl)-6'-prop-1-en-2-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione (CID 141183576) is 1'-chloro-4'-(3-chlorophenyl)-6'-prop-1-en-2-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione.
What is the SMILES notation for 1'-chloro-4'-(3-chlorophenyl)-6'-prop-1-en-2-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The canonical SMILES for 1'-chloro-4'-(3-chlorophenyl)-6'-prop-1-en-2-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione is C=C(C)C1N(Cl)C(=O)CC(c2cccc(Cl)c2)C12C(=O)Nc1ccccc12.
What is the InChIKey of 1'-chloro-4'-(3-chlorophenyl)-6'-prop-1-en-2-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione?
The InChIKey is PCVYAJTTYQSTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O2/c1-12(2)19-21(15-8-3-4-9-17(15)24-20(21)27)16(11-18(26)25(19)23)13-6-5-7-14(22)10-13/h3-10,16,19H,1,11H2,2H3,(H,24,27).
What are the key properties of 1'-chloro-4'-(3-chlorophenyl)-6'-prop-1-en-2-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione?
1'-chloro-4'-(3-chlorophenyl)-6'-prop-1-en-2-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione has a molecular weight of 401.29 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-chloro-4'-(3-chlorophenyl)-6'-prop-1-en-2-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione is sourced from PubChem (CID 141183576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).