N-(4-fluorophenyl)-4-oxo-3H-phthalazine-1-carboxamide

C15H10FN3O2 — CID 4163288

IUPACN-(4-fluorophenyl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C15H10FN3O2/c16-9-5-7-10(8-6-9)17-15(21)13-11-3-1-2-4-12(11)14(20)19-18-13/h1-8H,(H,17,21)(H,19,20)
InChIKeyTZPQMJGCNUVBFZ-UHFFFAOYSA-N
MW283.26 g/mol
LogP2.31
Rot. Bonds2

About N-(4-fluorophenyl)-4-oxo-3H-phthalazine-1-carboxamide

N-(4-fluorophenyl)-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 4163288) has the molecular formula C15H10FN3O2 and a molecular weight of 283.26 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID4163288
Molecular FormulaC15H10FN3O2
Molecular Weight283.26 g/mol
Exact Mass283.08
IUPAC NameN-(4-fluorophenyl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C15H10FN3O2/c16-9-5-7-10(8-6-9)17-15(21)13-11-3-1-2-4-12(11)14(20)19-18-13/h1-8H,(H,17,21)(H,19,20)
InChIKeyTZPQMJGCNUVBFZ-UHFFFAOYSA-N
XLogP2.31
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-oxo-3H-phthalazine-1-carboxamide (CID 4163288) is N-(4-fluorophenyl)-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-oxo-3H-phthalazine-1-carboxamide is O=C(Nc1ccc(F)cc1)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-(4-fluorophenyl)-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is TZPQMJGCNUVBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O2/c16-9-5-7-10(8-6-9)17-15(21)13-11-3-1-2-4-12(11)14(20)19-18-13/h1-8H,(H,17,21)(H,19,20).
What are the key properties of N-(4-fluorophenyl)-4-oxo-3H-phthalazine-1-carboxamide?
N-(4-fluorophenyl)-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 283.26 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 4163288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).