3-[[3-fluoro-4-(2-methoxyethylamino)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one

C19H20FN3O2 — CID 91059431

IUPAC3-[[3-fluoro-4-(2-methoxyethylamino)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one
SMILESCOCCNc1ccc(/N=C/C2C(=O)Nc3cccc(C)c32)cc1F
InChIInChI=1S/C19H20FN3O2/c1-12-4-3-5-17-18(12)14(19(24)23-17)11-22-13-6-7-16(15(20)10-13)21-8-9-25-2/h3-7,10-11,14,21H,8-9H2,1-2H3,(H,23,24)/b22-11+
InChIKeyISXNDFRJMZXAEF-SSDVNMTOSA-N
MW341.39 g/mol
LogP3.63
Rot. Bonds6

About 3-[[3-fluoro-4-(2-methoxyethylamino)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one

3-[[3-fluoro-4-(2-methoxyethylamino)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one (PubChem CID 91059431) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 3-[[3-fluoro-4-(2-methoxyethylamino)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[[3-fluoro-4-(2-methoxyethylamino)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one
PubChem CID91059431
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name3-[[3-fluoro-4-(2-methoxyethylamino)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one
SMILESCOCCNc1ccc(/N=C/C2C(=O)Nc3cccc(C)c32)cc1F
InChIInChI=1S/C19H20FN3O2/c1-12-4-3-5-17-18(12)14(19(24)23-17)11-22-13-6-7-16(15(20)10-13)21-8-9-25-2/h3-7,10-11,14,21H,8-9H2,1-2H3,(H,23,24)/b22-11+
InChIKeyISXNDFRJMZXAEF-SSDVNMTOSA-N
XLogP3.63
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-fluoro-4-(2-methoxyethylamino)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-[[3-fluoro-4-(2-methoxyethylamino)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one (CID 91059431) is 3-[[3-fluoro-4-(2-methoxyethylamino)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[[3-fluoro-4-(2-methoxyethylamino)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[[3-fluoro-4-(2-methoxyethylamino)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one is COCCNc1ccc(/N=C/C2C(=O)Nc3cccc(C)c32)cc1F.
What is the InChIKey of 3-[[3-fluoro-4-(2-methoxyethylamino)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one?
The InChIKey is ISXNDFRJMZXAEF-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-12-4-3-5-17-18(12)14(19(24)23-17)11-22-13-6-7-16(15(20)10-13)21-8-9-25-2/h3-7,10-11,14,21H,8-9H2,1-2H3,(H,23,24)/b22-11+.
What are the key properties of 3-[[3-fluoro-4-(2-methoxyethylamino)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one?
3-[[3-fluoro-4-(2-methoxyethylamino)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one has a molecular weight of 341.39 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-fluoro-4-(2-methoxyethylamino)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 91059431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).