2-[(4-fluorophenyl)methylideneamino]-6,7-dihydroxy-3H-isoindol-1-one

C15H11FN2O3 — CID 69018354

IUPAC2-[(4-fluorophenyl)methylideneamino]-6,7-dihydroxy-3H-isoindol-1-one
SMILESO=C1c2c(ccc(O)c2O)CN1N=Cc1ccc(F)cc1
InChIInChI=1S/C15H11FN2O3/c16-11-4-1-9(2-5-11)7-17-18-8-10-3-6-12(19)14(20)13(10)15(18)21/h1-7,19-20H,8H2
InChIKeyOMAFEQHCOHHYBF-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.23
Rot. Bonds2

About 2-[(4-fluorophenyl)methylideneamino]-6,7-dihydroxy-3H-isoindol-1-one

2-[(4-fluorophenyl)methylideneamino]-6,7-dihydroxy-3H-isoindol-1-one (PubChem CID 69018354) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylideneamino]-6,7-dihydroxy-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylideneamino]-6,7-dihydroxy-3H-isoindol-1-one
PubChem CID69018354
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Name2-[(4-fluorophenyl)methylideneamino]-6,7-dihydroxy-3H-isoindol-1-one
SMILESO=C1c2c(ccc(O)c2O)CN1N=Cc1ccc(F)cc1
InChIInChI=1S/C15H11FN2O3/c16-11-4-1-9(2-5-11)7-17-18-8-10-3-6-12(19)14(20)13(10)15(18)21/h1-7,19-20H,8H2
InChIKeyOMAFEQHCOHHYBF-UHFFFAOYSA-N
XLogP2.23
TPSA73.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylideneamino]-6,7-dihydroxy-3H-isoindol-1-one?
The IUPAC name of 2-[(4-fluorophenyl)methylideneamino]-6,7-dihydroxy-3H-isoindol-1-one (CID 69018354) is 2-[(4-fluorophenyl)methylideneamino]-6,7-dihydroxy-3H-isoindol-1-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methylideneamino]-6,7-dihydroxy-3H-isoindol-1-one?
The canonical SMILES for 2-[(4-fluorophenyl)methylideneamino]-6,7-dihydroxy-3H-isoindol-1-one is O=C1c2c(ccc(O)c2O)CN1N=Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylideneamino]-6,7-dihydroxy-3H-isoindol-1-one?
The InChIKey is OMAFEQHCOHHYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c16-11-4-1-9(2-5-11)7-17-18-8-10-3-6-12(19)14(20)13(10)15(18)21/h1-7,19-20H,8H2.
What are the key properties of 2-[(4-fluorophenyl)methylideneamino]-6,7-dihydroxy-3H-isoindol-1-one?
2-[(4-fluorophenyl)methylideneamino]-6,7-dihydroxy-3H-isoindol-1-one has a molecular weight of 286.26 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylideneamino]-6,7-dihydroxy-3H-isoindol-1-one is sourced from PubChem (CID 69018354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).