1-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]piperidine-2,6-dione

C20H16FN3O3 — CID 11675005

IUPAC1-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
InChIInChI=1S/C20H16FN3O3/c21-15-9-8-12(11-17(15)24-18(25)6-3-7-19(24)26)10-16-13-4-1-2-5-14(13)20(27)23-22-16/h1-2,4-5,8-9,11H,3,6-7,10H2,(H,23,27)
InChIKeyYBPFTOWPXQAXLI-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.70
Rot. Bonds3

About 1-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]piperidine-2,6-dione

1-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]piperidine-2,6-dione (PubChem CID 11675005) has the molecular formula C20H16FN3O3 and a molecular weight of 365.36 g/mol. Its IUPAC name is 1-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]piperidine-2,6-dione
PubChem CID11675005
Molecular FormulaC20H16FN3O3
Molecular Weight365.36 g/mol
Exact Mass365.12
IUPAC Name1-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
InChIInChI=1S/C20H16FN3O3/c21-15-9-8-12(11-17(15)24-18(25)6-3-7-19(24)26)10-16-13-4-1-2-5-14(13)20(27)23-22-16/h1-2,4-5,8-9,11H,3,6-7,10H2,(H,23,27)
InChIKeyYBPFTOWPXQAXLI-UHFFFAOYSA-N
XLogP2.70
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]piperidine-2,6-dione?
The IUPAC name of 1-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]piperidine-2,6-dione (CID 11675005) is 1-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 1-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]piperidine-2,6-dione is O=C1CCCC(=O)N1c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F.
What is the InChIKey of 1-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]piperidine-2,6-dione?
The InChIKey is YBPFTOWPXQAXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3/c21-15-9-8-12(11-17(15)24-18(25)6-3-7-19(24)26)10-16-13-4-1-2-5-14(13)20(27)23-22-16/h1-2,4-5,8-9,11H,3,6-7,10H2,(H,23,27).
What are the key properties of 1-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]piperidine-2,6-dione?
1-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]piperidine-2,6-dione has a molecular weight of 365.36 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 11675005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).