7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole-2,3-dione

C15H8Cl2FNO2 — CID 102616452

IUPAC7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2cc(F)ccc2Cl)c2c(Cl)cccc21
InChIInChI=1S/C15H8Cl2FNO2/c16-11-5-4-9(18)6-8(11)7-19-13-10(14(20)15(19)21)2-1-3-12(13)17/h1-6H,7H2
InChIKeyJNTFUQNOQGPLBB-UHFFFAOYSA-N
MW324.14 g/mol
LogP3.86
Rot. Bonds2

About 7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole-2,3-dione

7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole-2,3-dione (PubChem CID 102616452) has the molecular formula C15H8Cl2FNO2 and a molecular weight of 324.14 g/mol. Its IUPAC name is 7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole-2,3-dione
PubChem CID102616452
Molecular FormulaC15H8Cl2FNO2
Molecular Weight324.14 g/mol
Exact Mass322.99
IUPAC Name7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2cc(F)ccc2Cl)c2c(Cl)cccc21
InChIInChI=1S/C15H8Cl2FNO2/c16-11-5-4-9(18)6-8(11)7-19-13-10(14(20)15(19)21)2-1-3-12(13)17/h1-6H,7H2
InChIKeyJNTFUQNOQGPLBB-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

7-chloro-1-[(3-chloro-2-fluorophenyl)methyl]indole-2,3-dione
CID 102856251
7-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole-2,3-dione
CID 115983068
1-[(2,3-dichlorophenyl)methyl]-7-fluoroindole-2,3-dione
CID 107306780
1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole-2,3-dione
CID 102616446
7-bromo-1-[(2,5-dichlorophenyl)methyl]indole-2,3-dione
CID 65317495
7-bromo-1-[(2-chlorophenyl)methyl]indole-2,3-dione
CID 60711867
7-chloro-1-(1,2-oxazol-5-ylmethyl)indole-2,3-dione
CID 61356002
3-[(7-chloro-2,3-dioxoindol-1-yl)methyl]furan-2-carboxylic acid
CID 61355825
5-amino-2-[(2-chloro-5-fluorophenyl)methyl]isoindole-1,3-dione
CID 102616030
2-[(2-chloro-5-fluorophenyl)methyl]-5-iodoisoindole-1,3-dione
CID 102621745
2-(7-chloro-2,3-dioxoindol-1-yl)acetonitrile
CID 61356292
2-[(2-chloro-4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2773635

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole-2,3-dione?
The IUPAC name of 7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole-2,3-dione (CID 102616452) is 7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole-2,3-dione.
What is the SMILES notation for 7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole-2,3-dione?
The canonical SMILES for 7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole-2,3-dione is O=C1C(=O)N(Cc2cc(F)ccc2Cl)c2c(Cl)cccc21.
What is the InChIKey of 7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole-2,3-dione?
The InChIKey is JNTFUQNOQGPLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2FNO2/c16-11-5-4-9(18)6-8(11)7-19-13-10(14(20)15(19)21)2-1-3-12(13)17/h1-6H,7H2.
What are the key properties of 7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole-2,3-dione?
7-chloro-1-[(2-chloro-5-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 7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole-2,3-dione is sourced from PubChem (CID 102616452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).