3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N-hydroxybenzamide

C21H14FN3O3 — CID 155346362

IUPAC3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N-hydroxybenzamide
SMILESO=C(NO)c1cccc(-c2nn(-c3ccc(F)cc3)c(=O)c3ccccc23)c1
InChIInChI=1S/C21H14FN3O3/c22-15-8-10-16(11-9-15)25-21(27)18-7-2-1-6-17(18)19(23-25)13-4-3-5-14(12-13)20(26)24-28/h1-12,28H,(H,24,26)
InChIKeyDMGPJSXFSCNPAI-UHFFFAOYSA-N
MW375.36 g/mol
LogP3.31
Rot. Bonds3

About 3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N-hydroxybenzamide

3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N-hydroxybenzamide (PubChem CID 155346362) has the molecular formula C21H14FN3O3 and a molecular weight of 375.36 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N-hydroxybenzamide.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N-hydroxybenzamide
PubChem CID155346362
Molecular FormulaC21H14FN3O3
Molecular Weight375.36 g/mol
Exact Mass375.10
IUPAC Name3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N-hydroxybenzamide
SMILESO=C(NO)c1cccc(-c2nn(-c3ccc(F)cc3)c(=O)c3ccccc23)c1
InChIInChI=1S/C21H14FN3O3/c22-15-8-10-16(11-9-15)25-21(27)18-7-2-1-6-17(18)19(23-25)13-4-3-5-14(12-13)20(26)24-28/h1-12,28H,(H,24,26)
InChIKeyDMGPJSXFSCNPAI-UHFFFAOYSA-N
XLogP3.31
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]benzoate
CID 155346228
3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 155346138
3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N-(oxan-2-yloxy)benzamide
CID 155346285
2-(4-fluorophenyl)-4-pyridin-3-ylphthalazin-1-one
CID 22079223
N-hydroxy-3-[3-(5-morpholin-4-yl-2-nitrophenyl)-4-oxophthalazin-1-yl]benzamide
CID 87717921
3-[[4-[4-[4-(4-aminophenoxy)-3-phenylphenyl]-1-oxophthalazin-2-yl]phenyl]carbamoyl]benzoic acid
CID 101171416
2-(4-chlorophenyl)-4-phenylphthalazin-1-one
CID 110172596
2-(4-bromophenyl)-4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phthalazin-1-one
CID 50928371
[3-[3-(4-chlorophenyl)-4-oxophthalazin-1-yl]phenyl] cyclopropanecarboxylate
CID 155346393
4-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]benzoic acid
CID 16772339
4-[3-(trifluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]phthalazin-1-one
CID 22079228
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methylphenyl)phthalazin-1-one
CID 50928266

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N-hydroxybenzamide?
The IUPAC name of 3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N-hydroxybenzamide (CID 155346362) is 3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N-hydroxybenzamide.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N-hydroxybenzamide?
The canonical SMILES for 3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N-hydroxybenzamide is O=C(NO)c1cccc(-c2nn(-c3ccc(F)cc3)c(=O)c3ccccc23)c1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N-hydroxybenzamide?
The InChIKey is DMGPJSXFSCNPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN3O3/c22-15-8-10-16(11-9-15)25-21(27)18-7-2-1-6-17(18)19(23-25)13-4-3-5-14(12-13)20(26)24-28/h1-12,28H,(H,24,26).
What are the key properties of 3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N-hydroxybenzamide?
3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N-hydroxybenzamide has a molecular weight of 375.36 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N-hydroxybenzamide is sourced from PubChem (CID 155346362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).