1-[(4-chloro-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione

C15H8ClF2NO2 — CID 114850024

IUPAC1-[(4-chloro-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(Cl)cc2F)c2ccc(F)cc21
InChIInChI=1S/C15H8ClF2NO2/c16-9-2-1-8(12(18)5-9)7-19-13-4-3-10(17)6-11(13)14(20)15(19)21/h1-6H,7H2
InChIKeyJFRXUGYDAWAVHN-UHFFFAOYSA-N
MW307.68 g/mol
LogP3.35
Rot. Bonds2

About 1-[(4-chloro-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione

1-[(4-chloro-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione (PubChem CID 114850024) has the molecular formula C15H8ClF2NO2 and a molecular weight of 307.68 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione.

Molecular Properties

Compound Name1-[(4-chloro-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione
PubChem CID114850024
Molecular FormulaC15H8ClF2NO2
Molecular Weight307.68 g/mol
Exact Mass307.02
IUPAC Name1-[(4-chloro-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(Cl)cc2F)c2ccc(F)cc21
InChIInChI=1S/C15H8ClF2NO2/c16-9-2-1-8(12(18)5-9)7-19-13-4-3-10(17)6-11(13)14(20)15(19)21/h1-6H,7H2
InChIKeyJFRXUGYDAWAVHN-UHFFFAOYSA-N
XLogP3.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.68
LogP ≤ 53.35
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

1-[(5-bromo-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione
CID 28549088
1-[(4-bromo-2-fluorophenyl)methyl]-6-chloroindole-2,3-dione
CID 61356419
5-chloro-1-[[4-[(5-chloro-2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione
CID 139227622
1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole-2,3-dione
CID 102616446
6-chloro-1-[(4-fluorophenyl)methyl]indole-2,3-dione
CID 61356251
1-[(6-chloro-3-pyridinyl)methyl]-5-fluoroindole-2,3-dione
CID 18071807
trifluoro-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]boranuide
CID 63705188
1-[(5-chlorothiadiazol-4-yl)methyl]-5-fluoroindole-2,3-dione
CID 43424013
1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-5-fluoroindole-2,3-dione
CID 80656794
5-fluoro-1-(2-hydroxyethyl)indole-2,3-dione
CID 14624170
potassium trifluoro-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]boranuide
CID 63705187
5-chloro-1-(2-fluoroethyl)indole-2,3-dione
CID 80694760

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione?
The IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione (CID 114850024) is 1-[(4-chloro-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione.
What is the SMILES notation for 1-[(4-chloro-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione?
The canonical SMILES for 1-[(4-chloro-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione is O=C1C(=O)N(Cc2ccc(Cl)cc2F)c2ccc(F)cc21.
What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione?
The InChIKey is JFRXUGYDAWAVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF2NO2/c16-9-2-1-8(12(18)5-9)7-19-13-4-3-10(17)6-11(13)14(20)15(19)21/h1-6H,7H2.
What are the key properties of 1-[(4-chloro-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione?
1-[(4-chloro-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione has a molecular weight of 307.68 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione is sourced from PubChem (CID 114850024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).