4-oxo-N'-(2,3,4,5,6-pentafluorophenyl)-3H-phthalazine-1-carbohydrazide

C15H7F5N4O2 — CID 17435460

IUPAC4-oxo-N'-(2,3,4,5,6-pentafluorophenyl)-3H-phthalazine-1-carbohydrazide
SMILESO=C(NNc1c(F)c(F)c(F)c(F)c1F)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C15H7F5N4O2/c16-7-8(17)10(19)13(11(20)9(7)18)22-24-15(26)12-5-3-1-2-4-6(5)14(25)23-21-12/h1-4,22H,(H,23,25)(H,24,26)
InChIKeyHRMLOSIHEQZMCC-UHFFFAOYSA-N
MW370.24 g/mol
LogP2.38
Rot. Bonds3

About 4-oxo-N'-(2,3,4,5,6-pentafluorophenyl)-3H-phthalazine-1-carbohydrazide

4-oxo-N'-(2,3,4,5,6-pentafluorophenyl)-3H-phthalazine-1-carbohydrazide (PubChem CID 17435460) has the molecular formula C15H7F5N4O2 and a molecular weight of 370.24 g/mol. Its IUPAC name is 4-oxo-N'-(2,3,4,5,6-pentafluorophenyl)-3H-phthalazine-1-carbohydrazide.

Molecular Properties

Compound Name4-oxo-N'-(2,3,4,5,6-pentafluorophenyl)-3H-phthalazine-1-carbohydrazide
PubChem CID17435460
Molecular FormulaC15H7F5N4O2
Molecular Weight370.24 g/mol
Exact Mass370.05
IUPAC Name4-oxo-N'-(2,3,4,5,6-pentafluorophenyl)-3H-phthalazine-1-carbohydrazide
SMILESO=C(NNc1c(F)c(F)c(F)c(F)c1F)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C15H7F5N4O2/c16-7-8(17)10(19)13(11(20)9(7)18)22-24-15(26)12-5-3-1-2-4-6(5)14(25)23-21-12/h1-4,22H,(H,23,25)(H,24,26)
InChIKeyHRMLOSIHEQZMCC-UHFFFAOYSA-N
XLogP2.38
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 4163288
N-[2-(2-fluorophenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 27847901
4-oxo-N'-(2-phenylbenzoyl)-3H-phthalazine-1-carbohydrazide
CID 27565264
N'-(2-methylbutanoyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 134012030
N'-(1-methylpyrrole-2-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 78780136
N-[1-(4-fluorophenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 17441646
N'-(4-methylpentanoyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 26873554
N'-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]-4-oxo-3H-phthalazine-1-carbohydrazide
CID 55635204
N'-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide
CID 7907393
4-fluoro-N-[3-methyl-1-oxo-1-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]butan-2-yl]benzamide
CID 4799558
N-[(2R)-2-hydroxypropyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 83031398
N-(4-fluoro-2-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 18076741

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N'-(2,3,4,5,6-pentafluorophenyl)-3H-phthalazine-1-carbohydrazide?
The IUPAC name of 4-oxo-N'-(2,3,4,5,6-pentafluorophenyl)-3H-phthalazine-1-carbohydrazide (CID 17435460) is 4-oxo-N'-(2,3,4,5,6-pentafluorophenyl)-3H-phthalazine-1-carbohydrazide.
What is the SMILES notation for 4-oxo-N'-(2,3,4,5,6-pentafluorophenyl)-3H-phthalazine-1-carbohydrazide?
The canonical SMILES for 4-oxo-N'-(2,3,4,5,6-pentafluorophenyl)-3H-phthalazine-1-carbohydrazide is O=C(NNc1c(F)c(F)c(F)c(F)c1F)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 4-oxo-N'-(2,3,4,5,6-pentafluorophenyl)-3H-phthalazine-1-carbohydrazide?
The InChIKey is HRMLOSIHEQZMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F5N4O2/c16-7-8(17)10(19)13(11(20)9(7)18)22-24-15(26)12-5-3-1-2-4-6(5)14(25)23-21-12/h1-4,22H,(H,23,25)(H,24,26).
What are the key properties of 4-oxo-N'-(2,3,4,5,6-pentafluorophenyl)-3H-phthalazine-1-carbohydrazide?
4-oxo-N'-(2,3,4,5,6-pentafluorophenyl)-3H-phthalazine-1-carbohydrazide has a molecular weight of 370.24 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N'-(2,3,4,5,6-pentafluorophenyl)-3H-phthalazine-1-carbohydrazide is sourced from PubChem (CID 17435460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).