4-chloro-1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid

C15H11ClFNO2 — CID 70828199

IUPAC4-chloro-1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1Cl)CCN2c1ccc(F)cc1
InChIInChI=1S/C15H11ClFNO2/c16-14-11-7-8-18(10-3-1-9(17)2-4-10)13(11)6-5-12(14)15(19)20/h1-6H,7-8H2,(H,19,20)
InChIKeyQDWUJEYQVYPODO-UHFFFAOYSA-N
MW291.71 g/mol
LogP3.87
Rot. Bonds2

About 4-chloro-1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid

4-chloro-1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid (PubChem CID 70828199) has the molecular formula C15H11ClFNO2 and a molecular weight of 291.71 g/mol. Its IUPAC name is 4-chloro-1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid.

Molecular Properties

Compound Name4-chloro-1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid
PubChem CID70828199
Molecular FormulaC15H11ClFNO2
Molecular Weight291.71 g/mol
Exact Mass291.05
IUPAC Name4-chloro-1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1Cl)CCN2c1ccc(F)cc1
InChIInChI=1S/C15H11ClFNO2/c16-14-11-7-8-18(10-3-1-9(17)2-4-10)13(11)6-5-12(14)15(19)20/h1-6H,7-8H2,(H,19,20)
InChIKeyQDWUJEYQVYPODO-UHFFFAOYSA-N
XLogP3.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.71
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid?
The IUPAC name of 4-chloro-1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid (CID 70828199) is 4-chloro-1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid.
What is the SMILES notation for 4-chloro-1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid?
The canonical SMILES for 4-chloro-1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid is O=C(O)c1ccc2c(c1Cl)CCN2c1ccc(F)cc1.
What is the InChIKey of 4-chloro-1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid?
The InChIKey is QDWUJEYQVYPODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO2/c16-14-11-7-8-18(10-3-1-9(17)2-4-10)13(11)6-5-12(14)15(19)20/h1-6H,7-8H2,(H,19,20).
What are the key properties of 4-chloro-1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid?
4-chloro-1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid has a molecular weight of 291.71 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-fluorophenyl)-2,3-dihydroindole-5-carboxylic acid is sourced from PubChem (CID 70828199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).