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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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).