5-chloro-3-(2-methoxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-amine

C16H14ClF3N2O — CID 90998504

IUPAC5-chloro-3-(2-methoxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-amine
SMILESCOc1ccccc1C1(N)CNc2cc(C(F)(F)F)c(Cl)cc21
InChIInChI=1S/C16H14ClF3N2O/c1-23-14-5-3-2-4-9(14)15(21)8-22-13-7-10(16(18,19)20)12(17)6-11(13)15/h2-7,22H,8,21H2,1H3
InChIKeyPXNNVJUPWMUCIY-UHFFFAOYSA-N
MW342.75 g/mol
LogP4.00
Rot. Bonds2

About 5-chloro-3-(2-methoxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-amine

5-chloro-3-(2-methoxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-amine (PubChem CID 90998504) has the molecular formula C16H14ClF3N2O and a molecular weight of 342.75 g/mol. Its IUPAC name is 5-chloro-3-(2-methoxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-amine.

Molecular Properties

Compound Name5-chloro-3-(2-methoxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-amine
PubChem CID90998504
Molecular FormulaC16H14ClF3N2O
Molecular Weight342.75 g/mol
Exact Mass342.07
IUPAC Name5-chloro-3-(2-methoxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-amine
SMILESCOc1ccccc1C1(N)CNc2cc(C(F)(F)F)c(Cl)cc21
InChIInChI=1S/C16H14ClF3N2O/c1-23-14-5-3-2-4-9(14)15(21)8-22-13-7-10(16(18,19)20)12(17)6-11(13)15/h2-7,22H,8,21H2,1H3
InChIKeyPXNNVJUPWMUCIY-UHFFFAOYSA-N
XLogP4.00
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.75
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-methoxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-amine?
The IUPAC name of 5-chloro-3-(2-methoxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-amine (CID 90998504) is 5-chloro-3-(2-methoxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-amine.
What is the SMILES notation for 5-chloro-3-(2-methoxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-amine?
The canonical SMILES for 5-chloro-3-(2-methoxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-amine is COc1ccccc1C1(N)CNc2cc(C(F)(F)F)c(Cl)cc21.
What is the InChIKey of 5-chloro-3-(2-methoxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-amine?
The InChIKey is PXNNVJUPWMUCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O/c1-23-14-5-3-2-4-9(14)15(21)8-22-13-7-10(16(18,19)20)12(17)6-11(13)15/h2-7,22H,8,21H2,1H3.
What are the key properties of 5-chloro-3-(2-methoxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-amine?
5-chloro-3-(2-methoxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-amine has a molecular weight of 342.75 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-methoxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-amine is sourced from PubChem (CID 90998504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).