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

C15H13ClFN — CID 59465784

IUPAC4-(3-chloro-4-fluorophenyl)-1-methyl-2,3-dihydroindole
SMILESCN1CCc2c(-c3ccc(F)c(Cl)c3)cccc21
InChIInChI=1S/C15H13ClFN/c1-18-8-7-12-11(3-2-4-15(12)18)10-5-6-14(17)13(16)9-10/h2-6,9H,7-8H2,1H3
InChIKeyMAHQXWMLQDUJTO-UHFFFAOYSA-N
MW261.73 g/mol
LogP4.14
Rot. Bonds1

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

4-(3-chloro-4-fluorophenyl)-1-methyl-2,3-dihydroindole (PubChem CID 59465784) has the molecular formula C15H13ClFN and a molecular weight of 261.73 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-1-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-1-methyl-2,3-dihydroindole
PubChem CID59465784
Molecular FormulaC15H13ClFN
Molecular Weight261.73 g/mol
Exact Mass261.07
IUPAC Name4-(3-chloro-4-fluorophenyl)-1-methyl-2,3-dihydroindole
SMILESCN1CCc2c(-c3ccc(F)c(Cl)c3)cccc21
InChIInChI=1S/C15H13ClFN/c1-18-8-7-12-11(3-2-4-15(12)18)10-5-6-14(17)13(16)9-10/h2-6,9H,7-8H2,1H3
InChIKeyMAHQXWMLQDUJTO-UHFFFAOYSA-N
XLogP4.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 54.14
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-methyl-2,3-dihydroindole?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-1-methyl-2,3-dihydroindole (CID 59465784) is 4-(3-chloro-4-fluorophenyl)-1-methyl-2,3-dihydroindole.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-1-methyl-2,3-dihydroindole?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-1-methyl-2,3-dihydroindole is CN1CCc2c(-c3ccc(F)c(Cl)c3)cccc21.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-1-methyl-2,3-dihydroindole?
The InChIKey is MAHQXWMLQDUJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN/c1-18-8-7-12-11(3-2-4-15(12)18)10-5-6-14(17)13(16)9-10/h2-6,9H,7-8H2,1H3.
What are the key properties of 4-(3-chloro-4-fluorophenyl)-1-methyl-2,3-dihydroindole?
4-(3-chloro-4-fluorophenyl)-1-methyl-2,3-dihydroindole has a molecular weight of 261.73 g/mol, XLogP of 4.14, 1 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-methyl-2,3-dihydroindole is sourced from PubChem (CID 59465784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).