4-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dihydroindole

C16H15ClFN — CID 71179629

IUPAC4-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dihydroindole
SMILESCCN1CCc2c(-c3ccc(F)c(Cl)c3)cccc21
InChIInChI=1S/C16H15ClFN/c1-2-19-9-8-13-12(4-3-5-16(13)19)11-6-7-15(18)14(17)10-11/h3-7,10H,2,8-9H2,1H3
InChIKeyAJDZHEDJRCODIS-UHFFFAOYSA-N
MW275.75 g/mol
LogP4.53
Rot. Bonds2

About 4-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dihydroindole

4-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dihydroindole (PubChem CID 71179629) has the molecular formula C16H15ClFN and a molecular weight of 275.75 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dihydroindole.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dihydroindole
PubChem CID71179629
Molecular FormulaC16H15ClFN
Molecular Weight275.75 g/mol
Exact Mass275.09
IUPAC Name4-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dihydroindole
SMILESCCN1CCc2c(-c3ccc(F)c(Cl)c3)cccc21
InChIInChI=1S/C16H15ClFN/c1-2-19-9-8-13-12(4-3-5-16(13)19)11-6-7-15(18)14(17)10-11/h3-7,10H,2,8-9H2,1H3
InChIKeyAJDZHEDJRCODIS-UHFFFAOYSA-N
XLogP4.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.75
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dihydroindole?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dihydroindole (CID 71179629) is 4-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dihydroindole.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dihydroindole?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dihydroindole is CCN1CCc2c(-c3ccc(F)c(Cl)c3)cccc21.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dihydroindole?
The InChIKey is AJDZHEDJRCODIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN/c1-2-19-9-8-13-12(4-3-5-16(13)19)11-6-7-15(18)14(17)10-11/h3-7,10H,2,8-9H2,1H3.
What are the key properties of 4-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dihydroindole?
4-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dihydroindole has a molecular weight of 275.75 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dihydroindole is sourced from PubChem (CID 71179629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).