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

C19H14FN3O3 — CID 11725479

IUPAC1-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
InChIInChI=1S/C19H14FN3O3/c20-14-6-5-11(10-16(14)23-17(24)7-8-18(23)25)9-15-12-3-1-2-4-13(12)19(26)22-21-15/h1-6,10H,7-9H2,(H,22,26)
InChIKeyYQSZNYLPVBOGPO-UHFFFAOYSA-N
MW351.34 g/mol
LogP2.31
Rot. Bonds3

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

1-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]pyrrolidine-2,5-dione (PubChem CID 11725479) has the molecular formula C19H14FN3O3 and a molecular weight of 351.34 g/mol. Its IUPAC name is 1-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]pyrrolidine-2,5-dione
PubChem CID11725479
Molecular FormulaC19H14FN3O3
Molecular Weight351.34 g/mol
Exact Mass351.10
IUPAC Name1-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
InChIInChI=1S/C19H14FN3O3/c20-14-6-5-11(10-16(14)23-17(24)7-8-18(23)25)9-15-12-3-1-2-4-13(12)19(26)22-21-15/h1-6,10H,7-9H2,(H,22,26)
InChIKeyYQSZNYLPVBOGPO-UHFFFAOYSA-N
XLogP2.31
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-oxo-N-(3-(trifluoromethyl)phenyl)-3,4-dihydrophthalazine-1-carboxamide
CID 970816
4-methyl-2-[3-(trifluoromethyl)phenyl]phthalazin-1(2H)-one
CID 890123
4-Methyl-2-phenyl-2H-phthalazin-1-one
CID 245552
N-{4-[(4R)-4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl]phenyl}-2-(trifluoromethyl)benzamide
CID 23647030
N-(4-ethylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 756039
N-[(1E)-2-(4-aminophenyl)-1-azaprop-1-enyl][3-(2-oxopyrrolidinyl)phenyl]carbox amide
CID 9585520
3-(2-oxo-1-pyrrolidinyl)-N'-(1-phenylethylidene)benzohydrazide
CID 9590201
1-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]pyrrolidine-2,5-dione
CID 9840598
1-[2-Fluoro-5-(4-oxo-3,4-dihydrophthalazin-1-ylmethyl)phenyl]-3-phenylpyrrolidine-2,5-dione
CID 11560961
1-(2-Fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)phenyl)piperidine-2,6-dione
CID 11675005
1-[2-Fluoro-5-(4-oxo-3,4-dihydrophthalazin-1-ylmethyl)phenyl]-3-methylpyrrolidine-2,5-dione
CID 18444335
1-[2-Fluoro-5-(4-oxo-3,4-dihydrophthalazin-1-ylmethyl)phenyl]-4-methylpiperazine-2,6-dione
CID 18444338

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]pyrrolidine-2,5-dione (CID 11725479) is 1-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]pyrrolidine-2,5-dione is O=C1CCC(=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]pyrrolidine-2,5-dione?
The InChIKey is YQSZNYLPVBOGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3/c20-14-6-5-11(10-16(14)23-17(24)7-8-18(23)25)9-15-12-3-1-2-4-13(12)19(26)22-21-15/h1-6,10H,7-9H2,(H,22,26).
What are the key properties of 1-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]pyrrolidine-2,5-dione?
1-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]pyrrolidine-2,5-dione has a molecular weight of 351.34 g/mol, XLogP of 2.31, 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]pyrrolidine-2,5-dione is sourced from PubChem (CID 11725479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).