phenyl 2-(5-fluoro-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate

C19H15FN2O4 — CID 162355919

IUPACphenyl 2-(5-fluoro-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate
SMILESCON1C(=O)n2c(cc3c(F)cccc32)C1CC(=O)Oc1ccccc1
InChIInChI=1S/C19H15FN2O4/c1-25-22-17(11-18(23)26-12-6-3-2-4-7-12)16-10-13-14(20)8-5-9-15(13)21(16)19(22)24/h2-10,17H,11H2,1H3
InChIKeyPMCNDAFNBIDUBJ-UHFFFAOYSA-N
MW354.34 g/mol
LogP3.66
Rot. Bonds4

About phenyl 2-(5-fluoro-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate

phenyl 2-(5-fluoro-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate (PubChem CID 162355919) has the molecular formula C19H15FN2O4 and a molecular weight of 354.34 g/mol. Its IUPAC name is phenyl 2-(5-fluoro-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate.

Molecular Properties

Compound Namephenyl 2-(5-fluoro-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate
PubChem CID162355919
Molecular FormulaC19H15FN2O4
Molecular Weight354.34 g/mol
Exact Mass354.10
IUPAC Namephenyl 2-(5-fluoro-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate
SMILESCON1C(=O)n2c(cc3c(F)cccc32)C1CC(=O)Oc1ccccc1
InChIInChI=1S/C19H15FN2O4/c1-25-22-17(11-18(23)26-12-6-3-2-4-7-12)16-10-13-14(20)8-5-9-15(13)21(16)19(22)24/h2-10,17H,11H2,1H3
InChIKeyPMCNDAFNBIDUBJ-UHFFFAOYSA-N
XLogP3.66
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl 2-(5-fluoro-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate?
The IUPAC name of phenyl 2-(5-fluoro-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate (CID 162355919) is phenyl 2-(5-fluoro-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate.
What is the SMILES notation for phenyl 2-(5-fluoro-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate?
The canonical SMILES for phenyl 2-(5-fluoro-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate is CON1C(=O)n2c(cc3c(F)cccc32)C1CC(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-(5-fluoro-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate?
The InChIKey is PMCNDAFNBIDUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O4/c1-25-22-17(11-18(23)26-12-6-3-2-4-7-12)16-10-13-14(20)8-5-9-15(13)21(16)19(22)24/h2-10,17H,11H2,1H3.
What are the key properties of phenyl 2-(5-fluoro-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate?
phenyl 2-(5-fluoro-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate has a molecular weight of 354.34 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(5-fluoro-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate is sourced from PubChem (CID 162355919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).