3-(5-chloro-2-methoxyphenyl)-3-fluoro-5-methyl-1,2-dihydroindole

C16H15ClFNO — CID 141045947

IUPAC3-(5-chloro-2-methoxyphenyl)-3-fluoro-5-methyl-1,2-dihydroindole
SMILESCOc1ccc(Cl)cc1C1(F)CNc2ccc(C)cc21
InChIInChI=1S/C16H15ClFNO/c1-10-3-5-14-12(7-10)16(18,9-19-14)13-8-11(17)4-6-15(13)20-2/h3-8,19H,9H2,1-2H3
InChIKeyVLKSDBJXRUZYKU-UHFFFAOYSA-N
MW291.75 g/mol
LogP4.30
Rot. Bonds2

About 3-(5-chloro-2-methoxyphenyl)-3-fluoro-5-methyl-1,2-dihydroindole

3-(5-chloro-2-methoxyphenyl)-3-fluoro-5-methyl-1,2-dihydroindole (PubChem CID 141045947) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-3-fluoro-5-methyl-1,2-dihydroindole.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-3-fluoro-5-methyl-1,2-dihydroindole
PubChem CID141045947
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC Name3-(5-chloro-2-methoxyphenyl)-3-fluoro-5-methyl-1,2-dihydroindole
SMILESCOc1ccc(Cl)cc1C1(F)CNc2ccc(C)cc21
InChIInChI=1S/C16H15ClFNO/c1-10-3-5-14-12(7-10)16(18,9-19-14)13-8-11(17)4-6-15(13)20-2/h3-8,19H,9H2,1-2H3
InChIKeyVLKSDBJXRUZYKU-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-3-fluoro-5-methyl-1,2-dihydroindole?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-3-fluoro-5-methyl-1,2-dihydroindole (CID 141045947) is 3-(5-chloro-2-methoxyphenyl)-3-fluoro-5-methyl-1,2-dihydroindole.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-3-fluoro-5-methyl-1,2-dihydroindole?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-3-fluoro-5-methyl-1,2-dihydroindole is COc1ccc(Cl)cc1C1(F)CNc2ccc(C)cc21.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-3-fluoro-5-methyl-1,2-dihydroindole?
The InChIKey is VLKSDBJXRUZYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c1-10-3-5-14-12(7-10)16(18,9-19-14)13-8-11(17)4-6-15(13)20-2/h3-8,19H,9H2,1-2H3.
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-3-fluoro-5-methyl-1,2-dihydroindole?
3-(5-chloro-2-methoxyphenyl)-3-fluoro-5-methyl-1,2-dihydroindole has a molecular weight of 291.75 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-3-fluoro-5-methyl-1,2-dihydroindole is sourced from PubChem (CID 141045947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).