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

C16H11ClFNO2 — CID 102616446

IUPAC1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole-2,3-dione
SMILESCc1ccc2c(c1)C(=O)C(=O)N2Cc1cc(F)ccc1Cl
InChIInChI=1S/C16H11ClFNO2/c1-9-2-5-14-12(6-9)15(20)16(21)19(14)8-10-7-11(18)3-4-13(10)17/h2-7H,8H2,1H3
InChIKeyGLCLBPVXPQNTKO-UHFFFAOYSA-N
MW303.72 g/mol
LogP3.52
Rot. Bonds2

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

1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole-2,3-dione (PubChem CID 102616446) has the molecular formula C16H11ClFNO2 and a molecular weight of 303.72 g/mol. Its IUPAC name is 1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole-2,3-dione.

Molecular Properties

Compound Name1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole-2,3-dione
PubChem CID102616446
Molecular FormulaC16H11ClFNO2
Molecular Weight303.72 g/mol
Exact Mass303.05
IUPAC Name1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole-2,3-dione
SMILESCc1ccc2c(c1)C(=O)C(=O)N2Cc1cc(F)ccc1Cl
InChIInChI=1S/C16H11ClFNO2/c1-9-2-5-14-12(6-9)15(20)16(21)19(14)8-10-7-11(18)3-4-13(10)17/h2-7H,8H2,1H3
InChIKeyGLCLBPVXPQNTKO-UHFFFAOYSA-N
XLogP3.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 53.52
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-[(2-chloro-4-methylphenyl)methyl]-5-methylindole-2,3-dione
CID 106864247
1-[(2-methoxyphenyl)methyl]-5-methylindole-2,3-dione
CID 4730255
1-[(4-chloro-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione
CID 114850024
7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole-2,3-dione
CID 102616452
1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-5-fluoroindole-2,3-dione
CID 80656794
5-bromo-1-[(2,5-dimethylphenyl)methyl]indole-2,3-dione
CID 3591808
1-[(5-bromo-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione
CID 28549088
5-fluoro-1-(2-methylsulfanylethyl)indole-2,3-dione
CID 115579387
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
1-[(6-chloro-3-pyridinyl)methyl]-5-fluoroindole-2,3-dione
CID 18071807
5-bromo-1-[(4-methylphenyl)methyl]indole-2,3-dione
CID 3598956

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole-2,3-dione?
The IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole-2,3-dione (CID 102616446) is 1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole-2,3-dione.
What is the SMILES notation for 1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole-2,3-dione?
The canonical SMILES for 1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole-2,3-dione is Cc1ccc2c(c1)C(=O)C(=O)N2Cc1cc(F)ccc1Cl.
What is the InChIKey of 1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole-2,3-dione?
The InChIKey is GLCLBPVXPQNTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO2/c1-9-2-5-14-12(6-9)15(20)16(21)19(14)8-10-7-11(18)3-4-13(10)17/h2-7H,8H2,1H3.
What are the key properties of 1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole-2,3-dione?
1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole-2,3-dione has a molecular weight of 303.72 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole-2,3-dione is sourced from PubChem (CID 102616446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).