2-fluoro-1-(3-fluoro-2-methylphenoxy)-1-[(2-methylanilino)methyl]-2,3-dihydroinden-5-ol

C24H23F2NO2 — CID 69123005

IUPAC2-fluoro-1-(3-fluoro-2-methylphenoxy)-1-[(2-methylanilino)methyl]-2,3-dihydroinden-5-ol
SMILESCc1ccccc1NCC1(Oc2cccc(F)c2C)c2ccc(O)cc2CC1F
InChIInChI=1S/C24H23F2NO2/c1-15-6-3-4-8-21(15)27-14-24(29-22-9-5-7-20(25)16(22)2)19-11-10-18(28)12-17(19)13-23(24)26/h3-12,23,27-28H,13-14H2,1-2H3
InChIKeyKZNNWFZSLHMXTA-UHFFFAOYSA-N
MW395.45 g/mol
LogP5.43
Rot. Bonds5

About 2-fluoro-1-(3-fluoro-2-methylphenoxy)-1-[(2-methylanilino)methyl]-2,3-dihydroinden-5-ol

2-fluoro-1-(3-fluoro-2-methylphenoxy)-1-[(2-methylanilino)methyl]-2,3-dihydroinden-5-ol (PubChem CID 69123005) has the molecular formula C24H23F2NO2 and a molecular weight of 395.45 g/mol. Its IUPAC name is 2-fluoro-1-(3-fluoro-2-methylphenoxy)-1-[(2-methylanilino)methyl]-2,3-dihydroinden-5-ol.

Molecular Properties

Compound Name2-fluoro-1-(3-fluoro-2-methylphenoxy)-1-[(2-methylanilino)methyl]-2,3-dihydroinden-5-ol
PubChem CID69123005
Molecular FormulaC24H23F2NO2
Molecular Weight395.45 g/mol
Exact Mass395.17
IUPAC Name2-fluoro-1-(3-fluoro-2-methylphenoxy)-1-[(2-methylanilino)methyl]-2,3-dihydroinden-5-ol
SMILESCc1ccccc1NCC1(Oc2cccc(F)c2C)c2ccc(O)cc2CC1F
InChIInChI=1S/C24H23F2NO2/c1-15-6-3-4-8-21(15)27-14-24(29-22-9-5-7-20(25)16(22)2)19-11-10-18(28)12-17(19)13-23(24)26/h3-12,23,27-28H,13-14H2,1-2H3
InChIKeyKZNNWFZSLHMXTA-UHFFFAOYSA-N
XLogP5.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.45
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(3-fluoro-2-methylphenoxy)-1-[(2-methylanilino)methyl]-2,3-dihydroinden-5-ol?
The IUPAC name of 2-fluoro-1-(3-fluoro-2-methylphenoxy)-1-[(2-methylanilino)methyl]-2,3-dihydroinden-5-ol (CID 69123005) is 2-fluoro-1-(3-fluoro-2-methylphenoxy)-1-[(2-methylanilino)methyl]-2,3-dihydroinden-5-ol.
What is the SMILES notation for 2-fluoro-1-(3-fluoro-2-methylphenoxy)-1-[(2-methylanilino)methyl]-2,3-dihydroinden-5-ol?
The canonical SMILES for 2-fluoro-1-(3-fluoro-2-methylphenoxy)-1-[(2-methylanilino)methyl]-2,3-dihydroinden-5-ol is Cc1ccccc1NCC1(Oc2cccc(F)c2C)c2ccc(O)cc2CC1F.
What is the InChIKey of 2-fluoro-1-(3-fluoro-2-methylphenoxy)-1-[(2-methylanilino)methyl]-2,3-dihydroinden-5-ol?
The InChIKey is KZNNWFZSLHMXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2NO2/c1-15-6-3-4-8-21(15)27-14-24(29-22-9-5-7-20(25)16(22)2)19-11-10-18(28)12-17(19)13-23(24)26/h3-12,23,27-28H,13-14H2,1-2H3.
What are the key properties of 2-fluoro-1-(3-fluoro-2-methylphenoxy)-1-[(2-methylanilino)methyl]-2,3-dihydroinden-5-ol?
2-fluoro-1-(3-fluoro-2-methylphenoxy)-1-[(2-methylanilino)methyl]-2,3-dihydroinden-5-ol has a molecular weight of 395.45 g/mol, XLogP of 5.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(3-fluoro-2-methylphenoxy)-1-[(2-methylanilino)methyl]-2,3-dihydroinden-5-ol is sourced from PubChem (CID 69123005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).