3-(3-fluorophenyl)-N-(4-phthalazin-1-yloxyphenyl)prop-2-enamide

C23H16FN3O2 — CID 91944050

IUPAC3-(3-fluorophenyl)-N-(4-phthalazin-1-yloxyphenyl)prop-2-enamide
SMILESO=C(C=Cc1cccc(F)c1)Nc1ccc(Oc2nncc3ccccc23)cc1
InChIInChI=1S/C23H16FN3O2/c24-18-6-3-4-16(14-18)8-13-22(28)26-19-9-11-20(12-10-19)29-23-21-7-2-1-5-17(21)15-25-27-23/h1-15H,(H,26,28)
InChIKeyYTLCWMUXMBAYGC-UHFFFAOYSA-N
MW385.40 g/mol
LogP5.21
Rot. Bonds5

About 3-(3-fluorophenyl)-N-(4-phthalazin-1-yloxyphenyl)prop-2-enamide

3-(3-fluorophenyl)-N-(4-phthalazin-1-yloxyphenyl)prop-2-enamide (PubChem CID 91944050) has the molecular formula C23H16FN3O2 and a molecular weight of 385.40 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(4-phthalazin-1-yloxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(4-phthalazin-1-yloxyphenyl)prop-2-enamide
PubChem CID91944050
Molecular FormulaC23H16FN3O2
Molecular Weight385.40 g/mol
Exact Mass385.12
IUPAC Name3-(3-fluorophenyl)-N-(4-phthalazin-1-yloxyphenyl)prop-2-enamide
SMILESO=C(C=Cc1cccc(F)c1)Nc1ccc(Oc2nncc3ccccc23)cc1
InChIInChI=1S/C23H16FN3O2/c24-18-6-3-4-16(14-18)8-13-22(28)26-19-9-11-20(12-10-19)29-23-21-7-2-1-5-17(21)15-25-27-23/h1-15H,(H,26,28)
InChIKeyYTLCWMUXMBAYGC-UHFFFAOYSA-N
XLogP5.21
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.40
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(4-phthalazin-1-yloxyphenyl)prop-2-enamide?
The IUPAC name of 3-(3-fluorophenyl)-N-(4-phthalazin-1-yloxyphenyl)prop-2-enamide (CID 91944050) is 3-(3-fluorophenyl)-N-(4-phthalazin-1-yloxyphenyl)prop-2-enamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(4-phthalazin-1-yloxyphenyl)prop-2-enamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-(4-phthalazin-1-yloxyphenyl)prop-2-enamide is O=C(C=Cc1cccc(F)c1)Nc1ccc(Oc2nncc3ccccc23)cc1.
What is the InChIKey of 3-(3-fluorophenyl)-N-(4-phthalazin-1-yloxyphenyl)prop-2-enamide?
The InChIKey is YTLCWMUXMBAYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O2/c24-18-6-3-4-16(14-18)8-13-22(28)26-19-9-11-20(12-10-19)29-23-21-7-2-1-5-17(21)15-25-27-23/h1-15H,(H,26,28).
What are the key properties of 3-(3-fluorophenyl)-N-(4-phthalazin-1-yloxyphenyl)prop-2-enamide?
3-(3-fluorophenyl)-N-(4-phthalazin-1-yloxyphenyl)prop-2-enamide has a molecular weight of 385.40 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-(4-phthalazin-1-yloxyphenyl)prop-2-enamide is sourced from PubChem (CID 91944050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).