N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(4-fluorophenoxy)acetamide

C16H12FN3O4 — CID 110734458

IUPACN-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C16H12FN3O4/c17-9-4-6-10(7-5-9)24-8-13(21)18-12-3-1-2-11-14(12)16(23)20-19-15(11)22/h1-7H,8H2,(H,18,21)(H,19,22)(H,20,23)
InChIKeyRQURNNZSRQLWQA-UHFFFAOYSA-N
MW329.29 g/mol
LogP1.37
Rot. Bonds4

About N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(4-fluorophenoxy)acetamide

N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(4-fluorophenoxy)acetamide (PubChem CID 110734458) has the molecular formula C16H12FN3O4 and a molecular weight of 329.29 g/mol. Its IUPAC name is N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(4-fluorophenoxy)acetamide
PubChem CID110734458
Molecular FormulaC16H12FN3O4
Molecular Weight329.29 g/mol
Exact Mass329.08
IUPAC NameN-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C16H12FN3O4/c17-9-4-6-10(7-5-9)24-8-13(21)18-12-3-1-2-11-14(12)16(23)20-19-15(11)22/h1-7H,8H2,(H,18,21)(H,19,22)(H,20,23)
InChIKeyRQURNNZSRQLWQA-UHFFFAOYSA-N
XLogP1.37
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.29
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(2-methoxyphenoxy)acetamide
CID 110734424
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 48735974
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-phenoxypropanamide
CID 110734418
2-(4-fluorophenoxy)-N-quinolin-8-ylacetamide
CID 17443973
4-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)butanamide
CID 60651857
N-(2-ethoxyphenyl)-2-(4-fluorophenoxy)acetamide
CID 727173
2-(4-fluorophenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 7768669
N-(2-tert-butylphenyl)-2-(4-fluorophenoxy)acetamide
CID 40597489
4-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)butanamide
CID 24709508
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-4-oxobutanamide
CID 21449705
3-[[2-(4-fluorophenoxy)acetyl]amino]pyridine-2-carboxylic acid
CID 104739937
2-(4-fluorophenoxy)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 24681386

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(4-fluorophenoxy)acetamide (CID 110734458) is N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(4-fluorophenoxy)acetamide is O=C(COc1ccc(F)cc1)Nc1cccc2c(=O)[nH][nH]c(=O)c12.
What is the InChIKey of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(4-fluorophenoxy)acetamide?
The InChIKey is RQURNNZSRQLWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O4/c17-9-4-6-10(7-5-9)24-8-13(21)18-12-3-1-2-11-14(12)16(23)20-19-15(11)22/h1-7H,8H2,(H,18,21)(H,19,22)(H,20,23).
What are the key properties of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(4-fluorophenoxy)acetamide?
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(4-fluorophenoxy)acetamide has a molecular weight of 329.29 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 110734458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).