N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-(1-oxophthalazin-2-yl)acetamide

C18H13FN6O2 — CID 55813699

IUPACN-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-(1-oxophthalazin-2-yl)acetamide
SMILESO=C(Cn1ncc2ccccc2c1=O)Nc1ccc(-n2cncn2)c(F)c1
InChIInChI=1S/C18H13FN6O2/c19-15-7-13(5-6-16(15)25-11-20-10-22-25)23-17(26)9-24-18(27)14-4-2-1-3-12(14)8-21-24/h1-8,10-11H,9H2,(H,23,26)
InChIKeyPZQQSUYXISWPED-UHFFFAOYSA-N
MW364.34 g/mol
LogP1.75
Rot. Bonds4

About N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-(1-oxophthalazin-2-yl)acetamide

N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-(1-oxophthalazin-2-yl)acetamide (PubChem CID 55813699) has the molecular formula C18H13FN6O2 and a molecular weight of 364.34 g/mol. Its IUPAC name is N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-(1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-(1-oxophthalazin-2-yl)acetamide
PubChem CID55813699
Molecular FormulaC18H13FN6O2
Molecular Weight364.34 g/mol
Exact Mass364.11
IUPAC NameN-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-(1-oxophthalazin-2-yl)acetamide
SMILESO=C(Cn1ncc2ccccc2c1=O)Nc1ccc(-n2cncn2)c(F)c1
InChIInChI=1S/C18H13FN6O2/c19-15-7-13(5-6-16(15)25-11-20-10-22-25)23-17(26)9-24-18(27)14-4-2-1-3-12(14)8-21-24/h1-8,10-11H,9H2,(H,23,26)
InChIKeyPZQQSUYXISWPED-UHFFFAOYSA-N
XLogP1.75
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 60809987
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-oxophthalazin-2-yl)acetamide
CID 9369041
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-hydroxypentanamide
CID 79199960
methyl 4-[[2-(1-oxophthalazin-2-yl)acetyl]amino]benzoate
CID 27687032
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 39991303
3-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]butanamide;hydrochloride
CID 119731498
4-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]pentanamide;hydrochloride
CID 120560590
N-[3-[3-fluoro-4-(1,2,4-triazol-1-yl)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 55813284
3-chloro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methylpropanamide
CID 62726630
N-[3-(2-methoxyethoxy)phenyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 55878594
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-(4-nitrophenyl)acetamide
CID 55813608
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 8862190

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-(1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-(1-oxophthalazin-2-yl)acetamide (CID 55813699) is N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-(1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-(1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-(1-oxophthalazin-2-yl)acetamide is O=C(Cn1ncc2ccccc2c1=O)Nc1ccc(-n2cncn2)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-(1-oxophthalazin-2-yl)acetamide?
The InChIKey is PZQQSUYXISWPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6O2/c19-15-7-13(5-6-16(15)25-11-20-10-22-25)23-17(26)9-24-18(27)14-4-2-1-3-12(14)8-21-24/h1-8,10-11H,9H2,(H,23,26).
What are the key properties of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-(1-oxophthalazin-2-yl)acetamide?
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-(1-oxophthalazin-2-yl)acetamide has a molecular weight of 364.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-(1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 55813699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).