4-chloro-7-fluoro-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione

C14H14ClFN2O2 — CID 61358305

IUPAC4-chloro-7-fluoro-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCN2CCCC2)c2c(F)ccc(Cl)c21
InChIInChI=1S/C14H14ClFN2O2/c15-9-3-4-10(16)12-11(9)13(19)14(20)18(12)8-7-17-5-1-2-6-17/h3-4H,1-2,5-8H2
InChIKeyKEYPQTONMBLXBI-UHFFFAOYSA-N
MW296.73 g/mol
LogP2.10
Rot. Bonds3

About 4-chloro-7-fluoro-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione

4-chloro-7-fluoro-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione (PubChem CID 61358305) has the molecular formula C14H14ClFN2O2 and a molecular weight of 296.73 g/mol. Its IUPAC name is 4-chloro-7-fluoro-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione.

Molecular Properties

Compound Name4-chloro-7-fluoro-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione
PubChem CID61358305
Molecular FormulaC14H14ClFN2O2
Molecular Weight296.73 g/mol
Exact Mass296.07
IUPAC Name4-chloro-7-fluoro-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCN2CCCC2)c2c(F)ccc(Cl)c21
InChIInChI=1S/C14H14ClFN2O2/c15-9-3-4-10(16)12-11(9)13(19)14(20)18(12)8-7-17-5-1-2-6-17/h3-4H,1-2,5-8H2
InChIKeyKEYPQTONMBLXBI-UHFFFAOYSA-N
XLogP2.10
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-fluoro-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione?
The IUPAC name of 4-chloro-7-fluoro-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione (CID 61358305) is 4-chloro-7-fluoro-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione.
What is the SMILES notation for 4-chloro-7-fluoro-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione?
The canonical SMILES for 4-chloro-7-fluoro-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione is O=C1C(=O)N(CCN2CCCC2)c2c(F)ccc(Cl)c21.
What is the InChIKey of 4-chloro-7-fluoro-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione?
The InChIKey is KEYPQTONMBLXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2/c15-9-3-4-10(16)12-11(9)13(19)14(20)18(12)8-7-17-5-1-2-6-17/h3-4H,1-2,5-8H2.
What are the key properties of 4-chloro-7-fluoro-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione?
4-chloro-7-fluoro-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione has a molecular weight of 296.73 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-fluoro-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione is sourced from PubChem (CID 61358305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).