3-(phenylmethoxymethyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one

C22H18F3NO3 — CID 154222308

IUPAC3-(phenylmethoxymethyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one
SMILESO=C1C(COCc2ccccc2)c2ccccc2N1Cc1ccc(C(F)(F)F)o1
InChIInChI=1S/C22H18F3NO3/c23-22(24,25)20-11-10-16(29-20)12-26-19-9-5-4-8-17(19)18(21(26)27)14-28-13-15-6-2-1-3-7-15/h1-11,18H,12-14H2
InChIKeyAQDKAPFZOVDAKI-UHFFFAOYSA-N
MW401.38 g/mol
LogP5.15
Rot. Bonds6

About 3-(phenylmethoxymethyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one

3-(phenylmethoxymethyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one (PubChem CID 154222308) has the molecular formula C22H18F3NO3 and a molecular weight of 401.38 g/mol. Its IUPAC name is 3-(phenylmethoxymethyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one.

Molecular Properties

Compound Name3-(phenylmethoxymethyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one
PubChem CID154222308
Molecular FormulaC22H18F3NO3
Molecular Weight401.38 g/mol
Exact Mass401.12
IUPAC Name3-(phenylmethoxymethyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one
SMILESO=C1C(COCc2ccccc2)c2ccccc2N1Cc1ccc(C(F)(F)F)o1
InChIInChI=1S/C22H18F3NO3/c23-22(24,25)20-11-10-16(29-20)12-26-19-9-5-4-8-17(19)18(21(26)27)14-28-13-15-6-2-1-3-7-15/h1-11,18H,12-14H2
InChIKeyAQDKAPFZOVDAKI-UHFFFAOYSA-N
XLogP5.15
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.38
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(phenylmethoxymethyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one?
The IUPAC name of 3-(phenylmethoxymethyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one (CID 154222308) is 3-(phenylmethoxymethyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one.
What is the SMILES notation for 3-(phenylmethoxymethyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one?
The canonical SMILES for 3-(phenylmethoxymethyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one is O=C1C(COCc2ccccc2)c2ccccc2N1Cc1ccc(C(F)(F)F)o1.
What is the InChIKey of 3-(phenylmethoxymethyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one?
The InChIKey is AQDKAPFZOVDAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NO3/c23-22(24,25)20-11-10-16(29-20)12-26-19-9-5-4-8-17(19)18(21(26)27)14-28-13-15-6-2-1-3-7-15/h1-11,18H,12-14H2.
What are the key properties of 3-(phenylmethoxymethyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one?
3-(phenylmethoxymethyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one has a molecular weight of 401.38 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylmethoxymethyl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one is sourced from PubChem (CID 154222308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).