5-chloro-1-[3-(2,4-dichlorophenoxy)propyl]indole-2,3-dione

C17H12Cl3NO3 — CID 9196252

IUPAC5-chloro-1-[3-(2,4-dichlorophenoxy)propyl]indole-2,3-dione
SMILESO=C1C(=O)N(CCCOc2ccc(Cl)cc2Cl)c2ccc(Cl)cc21
InChIInChI=1S/C17H12Cl3NO3/c18-10-2-4-14-12(8-10)16(22)17(23)21(14)6-1-7-24-15-5-3-11(19)9-13(15)20/h2-5,8-9H,1,6-7H2
InChIKeyQWCBSPZUCZKRRF-UHFFFAOYSA-N
MW384.65 g/mol
LogP4.65
Rot. Bonds5

About 5-chloro-1-[3-(2,4-dichlorophenoxy)propyl]indole-2,3-dione

5-chloro-1-[3-(2,4-dichlorophenoxy)propyl]indole-2,3-dione (PubChem CID 9196252) has the molecular formula C17H12Cl3NO3 and a molecular weight of 384.65 g/mol. Its IUPAC name is 5-chloro-1-[3-(2,4-dichlorophenoxy)propyl]indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-1-[3-(2,4-dichlorophenoxy)propyl]indole-2,3-dione
PubChem CID9196252
Molecular FormulaC17H12Cl3NO3
Molecular Weight384.65 g/mol
Exact Mass382.99
IUPAC Name5-chloro-1-[3-(2,4-dichlorophenoxy)propyl]indole-2,3-dione
SMILESO=C1C(=O)N(CCCOc2ccc(Cl)cc2Cl)c2ccc(Cl)cc21
InChIInChI=1S/C17H12Cl3NO3/c18-10-2-4-14-12(8-10)16(22)17(23)21(14)6-1-7-24-15-5-3-11(19)9-13(15)20/h2-5,8-9H,1,6-7H2
InChIKeyQWCBSPZUCZKRRF-UHFFFAOYSA-N
XLogP4.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.65
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-chloro-1-(2-chloroethyl)indole-2,3-dione
CID 12634820
5-chloro-1-(2-fluoroethyl)indole-2,3-dione
CID 80694760
5-chloro-1-[[4-[(5-chloro-2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione
CID 139227622
5-chloro-1-(2-propan-2-ylsulfonylethyl)indole-2,3-dione
CID 106726035
3-(5-chloro-2,3-dioxoindol-1-yl)-N-methylpropanamide
CID 62325353
5-chloro-1-[2-(2-methylimidazol-1-yl)ethyl]indole-2,3-dione
CID 61493871
5-chloro-1-[(4-propoxyphenyl)methyl]indole-2,3-dione
CID 9191121
5-chloro-1-[(E)-3-chloroprop-2-enyl]indole-2,3-dione
CID 103826042
5-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2,3-dione
CID 62071339
5-chloro-1-(4-chlorobut-2-enyl)indole-2,3-dione
CID 77051425
5-chloro-1-(2-ethylbutyl)indole-2,3-dione
CID 82928521
1-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 7652287

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[3-(2,4-dichlorophenoxy)propyl]indole-2,3-dione?
The IUPAC name of 5-chloro-1-[3-(2,4-dichlorophenoxy)propyl]indole-2,3-dione (CID 9196252) is 5-chloro-1-[3-(2,4-dichlorophenoxy)propyl]indole-2,3-dione.
What is the SMILES notation for 5-chloro-1-[3-(2,4-dichlorophenoxy)propyl]indole-2,3-dione?
The canonical SMILES for 5-chloro-1-[3-(2,4-dichlorophenoxy)propyl]indole-2,3-dione is O=C1C(=O)N(CCCOc2ccc(Cl)cc2Cl)c2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-1-[3-(2,4-dichlorophenoxy)propyl]indole-2,3-dione?
The InChIKey is QWCBSPZUCZKRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl3NO3/c18-10-2-4-14-12(8-10)16(22)17(23)21(14)6-1-7-24-15-5-3-11(19)9-13(15)20/h2-5,8-9H,1,6-7H2.
What are the key properties of 5-chloro-1-[3-(2,4-dichlorophenoxy)propyl]indole-2,3-dione?
5-chloro-1-[3-(2,4-dichlorophenoxy)propyl]indole-2,3-dione has a molecular weight of 384.65 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[3-(2,4-dichlorophenoxy)propyl]indole-2,3-dione is sourced from PubChem (CID 9196252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).