4-chloro-1-[(3-chloro-4-fluorophenyl)methyl]indole-2,3-dione

C15H8Cl2FNO2 — CID 103038332

IUPAC4-chloro-1-[(3-chloro-4-fluorophenyl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(F)c(Cl)c2)c2cccc(Cl)c21
InChIInChI=1S/C15H8Cl2FNO2/c16-9-2-1-3-12-13(9)14(20)15(21)19(12)7-8-4-5-11(18)10(17)6-8/h1-6H,7H2
InChIKeyICIYYNUOMFIWHN-UHFFFAOYSA-N
MW324.14 g/mol
LogP3.86
Rot. Bonds2

About 4-chloro-1-[(3-chloro-4-fluorophenyl)methyl]indole-2,3-dione

4-chloro-1-[(3-chloro-4-fluorophenyl)methyl]indole-2,3-dione (PubChem CID 103038332) has the molecular formula C15H8Cl2FNO2 and a molecular weight of 324.14 g/mol. Its IUPAC name is 4-chloro-1-[(3-chloro-4-fluorophenyl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name4-chloro-1-[(3-chloro-4-fluorophenyl)methyl]indole-2,3-dione
PubChem CID103038332
Molecular FormulaC15H8Cl2FNO2
Molecular Weight324.14 g/mol
Exact Mass322.99
IUPAC Name4-chloro-1-[(3-chloro-4-fluorophenyl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(F)c(Cl)c2)c2cccc(Cl)c21
InChIInChI=1S/C15H8Cl2FNO2/c16-9-2-1-3-12-13(9)14(20)15(21)19(12)7-8-4-5-11(18)10(17)6-8/h1-6H,7H2
InChIKeyICIYYNUOMFIWHN-UHFFFAOYSA-N
XLogP3.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.14
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-(2,2-difluoroethyl)indole-2,3-dione
CID 61357943
1-benzyl-4-fluoroindole-2,3-dione
CID 73294017
4-chloro-1-[(2-chloro-1,3-thiazol-5-yl)methyl]indole-2,3-dione
CID 79764849
1-[(3-chloro-4-fluorophenyl)methyl]piperazine-2,6-dione
CID 103040926
4-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione
CID 61357751
1-[[3-chloro-4-[(2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione
CID 3745546
6-chloro-1-[(3-chlorophenyl)methyl]indole-2,3-dione
CID 61356762
6-chloro-1-[(4-fluorophenyl)methyl]indole-2,3-dione
CID 61356251
4-chloro-1-(5-chloropentyl)indole-2,3-dione
CID 61359890
2-[(3-chloro-4-fluorophenyl)methyl]-4,5-dihydroxyisoindole-1,3-dione
CID 25196811
4-chloro-1-[(3-methylimidazol-4-yl)methyl]indole-2,3-dione
CID 66142340
4-chloro-1-[(5-chloro-1-methylimidazol-2-yl)methyl]indole-2,3-dione
CID 61359117

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(3-chloro-4-fluorophenyl)methyl]indole-2,3-dione?
The IUPAC name of 4-chloro-1-[(3-chloro-4-fluorophenyl)methyl]indole-2,3-dione (CID 103038332) is 4-chloro-1-[(3-chloro-4-fluorophenyl)methyl]indole-2,3-dione.
What is the SMILES notation for 4-chloro-1-[(3-chloro-4-fluorophenyl)methyl]indole-2,3-dione?
The canonical SMILES for 4-chloro-1-[(3-chloro-4-fluorophenyl)methyl]indole-2,3-dione is O=C1C(=O)N(Cc2ccc(F)c(Cl)c2)c2cccc(Cl)c21.
What is the InChIKey of 4-chloro-1-[(3-chloro-4-fluorophenyl)methyl]indole-2,3-dione?
The InChIKey is ICIYYNUOMFIWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2FNO2/c16-9-2-1-3-12-13(9)14(20)15(21)19(12)7-8-4-5-11(18)10(17)6-8/h1-6H,7H2.
What are the key properties of 4-chloro-1-[(3-chloro-4-fluorophenyl)methyl]indole-2,3-dione?
4-chloro-1-[(3-chloro-4-fluorophenyl)methyl]indole-2,3-dione has a molecular weight of 324.14 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(3-chloro-4-fluorophenyl)methyl]indole-2,3-dione is sourced from PubChem (CID 103038332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).