1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-7-fluoroindole-2,3-dione

C16H15ClFNO2 — CID 79563135

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-7-fluoroindole-2,3-dione
SMILESO=C1C(=O)N(CC2CC3CCC2C3)c2c(F)ccc(Cl)c21
InChIInChI=1S/C16H15ClFNO2/c17-11-3-4-12(18)14-13(11)15(20)16(21)19(14)7-10-6-8-1-2-9(10)5-8/h3-4,8-10H,1-2,5-7H2
InChIKeyMZFUVAVXXKHUGL-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.44
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-7-fluoroindole-2,3-dione

1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-7-fluoroindole-2,3-dione (PubChem CID 79563135) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-7-fluoroindole-2,3-dione.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-7-fluoroindole-2,3-dione
PubChem CID79563135
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-7-fluoroindole-2,3-dione
SMILESO=C1C(=O)N(CC2CC3CCC2C3)c2c(F)ccc(Cl)c21
InChIInChI=1S/C16H15ClFNO2/c17-11-3-4-12(18)14-13(11)15(20)16(21)19(14)7-10-6-8-1-2-9(10)5-8/h3-4,8-10H,1-2,5-7H2
InChIKeyMZFUVAVXXKHUGL-UHFFFAOYSA-N
XLogP3.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-7-fluoroindole-2,3-dione with MolForge

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Related Compounds

1-(2-bicyclo[2.2.1]heptanylmethyl)-4,7-difluoroindole-2,3-dione
CID 83206691
1-(2-bicyclo[2.2.1]heptanylmethyl)-7-chloroindole-2,3-dione
CID 79563130
4-chloro-7-fluoro-1-(oxan-2-ylmethyl)indole-2,3-dione
CID 61357910
4-chloro-1-[(5,5-dimethyloxolan-2-yl)methyl]-7-fluoroindole-2,3-dione
CID 116522252
4-chloro-7-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79175249
4-chloro-7-fluoro-1-(2-methylpropyl)indole-2,3-dione
CID 61359084
4-chloro-7-fluoro-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione
CID 61358305
1-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-6-fluoroindole-2,3-dione
CID 79563139
1-[[1-(bromomethyl)cyclopropyl]methyl]-4-chloro-7-fluoroindole-2,3-dione
CID 65008149
1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-2,5-dione
CID 98186318
N-butan-2-yl-2-(4-chloro-7-fluoro-2,3-dioxoindol-1-yl)acetamide
CID 61360256
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 11915186

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-7-fluoroindole-2,3-dione?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-7-fluoroindole-2,3-dione (CID 79563135) is 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-7-fluoroindole-2,3-dione.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-7-fluoroindole-2,3-dione?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-7-fluoroindole-2,3-dione is O=C1C(=O)N(CC2CC3CCC2C3)c2c(F)ccc(Cl)c21.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-7-fluoroindole-2,3-dione?
The InChIKey is MZFUVAVXXKHUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c17-11-3-4-12(18)14-13(11)15(20)16(21)19(14)7-10-6-8-1-2-9(10)5-8/h3-4,8-10H,1-2,5-7H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-7-fluoroindole-2,3-dione?
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-7-fluoroindole-2,3-dione has a molecular weight of 307.75 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-7-fluoroindole-2,3-dione is sourced from PubChem (CID 79563135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).