6-fluoro-3-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one

C20H19F2N3O2 — CID 90960094

IUPAC6-fluoro-3-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(F)ccc2C1/C=N/c1ccc(NCC2CCCO2)c(F)c1
InChIInChI=1S/C20H19F2N3O2/c21-12-3-5-15-16(20(26)25-19(15)8-12)11-23-13-4-6-18(17(22)9-13)24-10-14-2-1-7-27-14/h3-6,8-9,11,14,16,24H,1-2,7,10H2,(H,25,26)/b23-11+
InChIKeyRYGYFKUYOGAYLC-FOKLQQMPSA-N
MW371.39 g/mol
LogP3.99
Rot. Bonds5

About 6-fluoro-3-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one

6-fluoro-3-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one (PubChem CID 90960094) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is 6-fluoro-3-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-fluoro-3-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
PubChem CID90960094
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name6-fluoro-3-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(F)ccc2C1/C=N/c1ccc(NCC2CCCO2)c(F)c1
InChIInChI=1S/C20H19F2N3O2/c21-12-3-5-15-16(20(26)25-19(15)8-12)11-23-13-4-6-18(17(22)9-13)24-10-14-2-1-7-27-14/h3-6,8-9,11,14,16,24H,1-2,7,10H2,(H,25,26)/b23-11+
InChIKeyRYGYFKUYOGAYLC-FOKLQQMPSA-N
XLogP3.99
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-3-[[4-(oxolan-2-ylmethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91504086
6-fluoro-3-[[3-fluoro-4-(2-pyridin-3-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91411132
3-[[4-[1-(dimethylamino)propan-2-ylamino]-3-fluorophenyl]iminomethyl]-6-fluoro-1,3-dihydroindol-2-one
CID 91402105
6-fluoro-3-[[3-methyl-4-[(5-methylpyrazin-2-yl)methylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90748997
3-[[3-fluoro-4-(2-methoxyethylamino)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one
CID 91059431
3-[[3-fluoro-4-(pyridin-4-ylmethylamino)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one
CID 90819034
5-fluoro-3-[[4-(oxan-4-ylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91275674
5-fluoro-2-(oxolan-2-ylmethylamino)benzoic acid
CID 63673824
6-fluoro-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90873924
1-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119892314
5-fluoro-2-(oxan-2-ylmethylamino)benzonitrile
CID 63674808
3-[[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one
CID 91126660

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-fluoro-3-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one (CID 90960094) is 6-fluoro-3-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-fluoro-3-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-fluoro-3-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one is O=C1Nc2cc(F)ccc2C1/C=N/c1ccc(NCC2CCCO2)c(F)c1.
What is the InChIKey of 6-fluoro-3-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The InChIKey is RYGYFKUYOGAYLC-FOKLQQMPSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c21-12-3-5-15-16(20(26)25-19(15)8-12)11-23-13-4-6-18(17(22)9-13)24-10-14-2-1-7-27-14/h3-6,8-9,11,14,16,24H,1-2,7,10H2,(H,25,26)/b23-11+.
What are the key properties of 6-fluoro-3-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
6-fluoro-3-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one has a molecular weight of 371.39 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 90960094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).