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

C20H20FN3O2 — CID 91504086

IUPAC5-fluoro-3-[[4-(oxolan-2-ylmethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1/C=N/c1ccc(NCC2CCCO2)cc1
InChIInChI=1S/C20H20FN3O2/c21-13-3-8-19-17(10-13)18(20(25)24-19)12-23-15-6-4-14(5-7-15)22-11-16-2-1-9-26-16/h3-8,10,12,16,18,22H,1-2,9,11H2,(H,24,25)/b23-12+
InChIKeyXUGIRBNNXJKSSE-FSJBWODESA-N
MW353.40 g/mol
LogP3.85
Rot. Bonds5

About 5-fluoro-3-[[4-(oxolan-2-ylmethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one

5-fluoro-3-[[4-(oxolan-2-ylmethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one (PubChem CID 91504086) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 5-fluoro-3-[[4-(oxolan-2-ylmethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-[[4-(oxolan-2-ylmethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
PubChem CID91504086
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name5-fluoro-3-[[4-(oxolan-2-ylmethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1/C=N/c1ccc(NCC2CCCO2)cc1
InChIInChI=1S/C20H20FN3O2/c21-13-3-8-19-17(10-13)18(20(25)24-19)12-23-15-6-4-14(5-7-15)22-11-16-2-1-9-26-16/h3-8,10,12,16,18,22H,1-2,9,11H2,(H,24,25)/b23-12+
InChIKeyXUGIRBNNXJKSSE-FSJBWODESA-N
XLogP3.85
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.85
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

6-fluoro-3-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90960094
5-fluoro-3-[[4-(oxan-4-ylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91275674
3-[[4-[3-(diethylamino)pyrrolidin-1-yl]-3-methylphenyl]iminomethyl]-5-fluoro-1,3-dihydroindol-2-one
CID 91429971
2-(4-fluorophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981193
5-(oxolan-2-ylmethylamino)-3H-1,3-benzoxazol-2-one
CID 82835738
N-[4-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide
CID 82833910
4-methyl-3-[[4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90985544
2,2,4-trimethyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinolin-6-amine
CID 171819663
4-(oxolan-2-ylmethylamino)benzamide
CID 43179718
1-[4-[[(2R)-oxolan-2-yl]methylamino]phenyl]butan-1-one
CID 25127473
5-fluoro-2-(oxolan-2-ylmethylamino)benzoic acid
CID 63673824
6-fluoro-3-[[3-methyl-4-[(5-methylpyrazin-2-yl)methylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90748997

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[[4-(oxolan-2-ylmethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-[[4-(oxolan-2-ylmethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one (CID 91504086) is 5-fluoro-3-[[4-(oxolan-2-ylmethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-[[4-(oxolan-2-ylmethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-[[4-(oxolan-2-ylmethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one is O=C1Nc2ccc(F)cc2C1/C=N/c1ccc(NCC2CCCO2)cc1.
What is the InChIKey of 5-fluoro-3-[[4-(oxolan-2-ylmethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The InChIKey is XUGIRBNNXJKSSE-FSJBWODESA-N. The full InChI is InChI=1S/C20H20FN3O2/c21-13-3-8-19-17(10-13)18(20(25)24-19)12-23-15-6-4-14(5-7-15)22-11-16-2-1-9-26-16/h3-8,10,12,16,18,22H,1-2,9,11H2,(H,24,25)/b23-12+.
What are the key properties of 5-fluoro-3-[[4-(oxolan-2-ylmethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
5-fluoro-3-[[4-(oxolan-2-ylmethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one has a molecular weight of 353.40 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[[4-(oxolan-2-ylmethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 91504086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).