3-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)imino]-1-phenylindol-2-one

C22H15FN2O3 — CID 59060905

IUPAC3-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)imino]-1-phenylindol-2-one
SMILESCC1(F)Oc2ccc(/N=C3/C(=O)N(c4ccccc4)c4ccccc43)cc2O1
InChIInChI=1S/C22H15FN2O3/c1-22(23)27-18-12-11-14(13-19(18)28-22)24-20-16-9-5-6-10-17(16)25(21(20)26)15-7-3-2-4-8-15/h2-13H,1H3/b24-20+
InChIKeyFZUPZRLGVRJUGE-HIXSDJFHSA-N
MW374.37 g/mol
LogP4.90
Rot. Bonds2

About 3-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)imino]-1-phenylindol-2-one

3-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)imino]-1-phenylindol-2-one (PubChem CID 59060905) has the molecular formula C22H15FN2O3 and a molecular weight of 374.37 g/mol. Its IUPAC name is 3-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)imino]-1-phenylindol-2-one.

Molecular Properties

Compound Name3-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)imino]-1-phenylindol-2-one
PubChem CID59060905
Molecular FormulaC22H15FN2O3
Molecular Weight374.37 g/mol
Exact Mass374.11
IUPAC Name3-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)imino]-1-phenylindol-2-one
SMILESCC1(F)Oc2ccc(/N=C3/C(=O)N(c4ccccc4)c4ccccc43)cc2O1
InChIInChI=1S/C22H15FN2O3/c1-22(23)27-18-12-11-14(13-19(18)28-22)24-20-16-9-5-6-10-17(16)25(21(20)26)15-7-3-2-4-8-15/h2-13H,1H3/b24-20+
InChIKeyFZUPZRLGVRJUGE-HIXSDJFHSA-N
XLogP4.90
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)imino]-1-phenylindol-2-one?
The IUPAC name of 3-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)imino]-1-phenylindol-2-one (CID 59060905) is 3-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)imino]-1-phenylindol-2-one.
What is the SMILES notation for 3-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)imino]-1-phenylindol-2-one?
The canonical SMILES for 3-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)imino]-1-phenylindol-2-one is CC1(F)Oc2ccc(/N=C3/C(=O)N(c4ccccc4)c4ccccc43)cc2O1.
What is the InChIKey of 3-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)imino]-1-phenylindol-2-one?
The InChIKey is FZUPZRLGVRJUGE-HIXSDJFHSA-N. The full InChI is InChI=1S/C22H15FN2O3/c1-22(23)27-18-12-11-14(13-19(18)28-22)24-20-16-9-5-6-10-17(16)25(21(20)26)15-7-3-2-4-8-15/h2-13H,1H3/b24-20+.
What are the key properties of 3-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)imino]-1-phenylindol-2-one?
3-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)imino]-1-phenylindol-2-one has a molecular weight of 374.37 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)imino]-1-phenylindol-2-one is sourced from PubChem (CID 59060905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).