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

C20H20FN3O2 — CID 91275674

IUPAC5-fluoro-3-[[4-(oxan-4-ylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1/C=N/c1ccc(NC2CCOCC2)cc1
InChIInChI=1S/C20H20FN3O2/c21-13-1-6-19-17(11-13)18(20(25)24-19)12-22-14-2-4-15(5-3-14)23-16-7-9-26-10-8-16/h1-6,11-12,16,18,23H,7-10H2,(H,24,25)/b22-12+
InChIKeyCNXCHTLQOVIUKK-WSDLNYQXSA-N
MW353.40 g/mol
LogP3.85
Rot. Bonds4

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

5-fluoro-3-[[4-(oxan-4-ylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one (PubChem CID 91275674) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 5-fluoro-3-[[4-(oxan-4-ylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-[[4-(oxan-4-ylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
PubChem CID91275674
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name5-fluoro-3-[[4-(oxan-4-ylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1/C=N/c1ccc(NC2CCOCC2)cc1
InChIInChI=1S/C20H20FN3O2/c21-13-1-6-19-17(11-13)18(20(25)24-19)12-22-14-2-4-15(5-3-14)23-16-7-9-26-10-8-16/h1-6,11-12,16,18,23H,7-10H2,(H,24,25)/b22-12+
InChIKeyCNXCHTLQOVIUKK-WSDLNYQXSA-N
XLogP3.85
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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'}

Analyze 5-fluoro-3-[[4-(oxan-4-ylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-3-[[4-(oxolan-2-ylmethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91504086
5-fluoro-3-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91149648
5-chloro-3-[[4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91523176
5-chloro-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 91223892
3-[[4-[2-[di(propan-2-yl)amino]ethylamino]phenyl]iminomethyl]-6-fluoro-1,3-dihydroindol-2-one
CID 91195491
6-fluoro-3-[[4-(1-methoxypropan-2-ylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91503293
3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 90901453
3-[[4-[3-(diethylamino)pyrrolidin-1-yl]-3-methylphenyl]iminomethyl]-5-fluoro-1,3-dihydroindol-2-one
CID 91429971
3-[[4-[butyl(ethyl)amino]-3-fluorophenyl]iminomethyl]-5-fluoro-1,3-dihydroindol-2-one
CID 91343024
1-[4-[(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]-2-methylphenyl]piperidine-3-carboxamide
CID 91393535
6-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91423097
6-fluoro-3-[[4-[3-(2-methylpiperidin-1-yl)propylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90949850

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[[4-(oxan-4-ylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-[[4-(oxan-4-ylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one (CID 91275674) is 5-fluoro-3-[[4-(oxan-4-ylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-[[4-(oxan-4-ylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-[[4-(oxan-4-ylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one is O=C1Nc2ccc(F)cc2C1/C=N/c1ccc(NC2CCOCC2)cc1.
What is the InChIKey of 5-fluoro-3-[[4-(oxan-4-ylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The InChIKey is CNXCHTLQOVIUKK-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H20FN3O2/c21-13-1-6-19-17(11-13)18(20(25)24-19)12-22-14-2-4-15(5-3-14)23-16-7-9-26-10-8-16/h1-6,11-12,16,18,23H,7-10H2,(H,24,25)/b22-12+.
What are the key properties of 5-fluoro-3-[[4-(oxan-4-ylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
5-fluoro-3-[[4-(oxan-4-ylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one has a molecular weight of 353.40 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[[4-(oxan-4-ylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 91275674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).