2-(4-oxo-3H-phthalazin-1-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide

C16H11Cl3N4O2 — CID 34933676

IUPAC2-(4-oxo-3H-phthalazin-1-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)NNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl3N4O2/c17-8-5-11(18)15(12(19)6-8)22-21-14(24)7-13-9-3-1-2-4-10(9)16(25)23-20-13/h1-6,22H,7H2,(H,21,24)(H,23,25)
InChIKeyXUUARWYWEXDCHK-UHFFFAOYSA-N
MW397.65 g/mol
LogP3.57
Rot. Bonds4

About 2-(4-oxo-3H-phthalazin-1-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide

2-(4-oxo-3H-phthalazin-1-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide (PubChem CID 34933676) has the molecular formula C16H11Cl3N4O2 and a molecular weight of 397.65 g/mol. Its IUPAC name is 2-(4-oxo-3H-phthalazin-1-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide.

Molecular Properties

Compound Name2-(4-oxo-3H-phthalazin-1-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide
PubChem CID34933676
Molecular FormulaC16H11Cl3N4O2
Molecular Weight397.65 g/mol
Exact Mass395.99
IUPAC Name2-(4-oxo-3H-phthalazin-1-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)NNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl3N4O2/c17-8-5-11(18)15(12(19)6-8)22-21-14(24)7-13-9-3-1-2-4-10(9)16(25)23-20-13/h1-6,22H,7H2,(H,21,24)(H,23,25)
InChIKeyXUUARWYWEXDCHK-UHFFFAOYSA-N
XLogP3.57
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.65
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17402682
N-(4-chloro-2-fluorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 7901318
(2,6-dichlorophenyl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 2466498
N-[(2-chloropyrimidin-5-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 166429063
N-[1-(2-chlorophenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17416824
2-(4-hydroxyphenyl)-N'-(2,4,6-trichlorophenyl)acetohydrazide
CID 78838857
N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]furan-2-carbohydrazide
CID 2547939
2-fluoro-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide
CID 21213678
N'-[2-(2,4-dichlorophenyl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide
CID 7907375
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7251476
methyl 2-chloro-4-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]benzoate
CID 167776226
2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
CID 17394362

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3H-phthalazin-1-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide?
The IUPAC name of 2-(4-oxo-3H-phthalazin-1-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide (CID 34933676) is 2-(4-oxo-3H-phthalazin-1-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide.
What is the SMILES notation for 2-(4-oxo-3H-phthalazin-1-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide?
The canonical SMILES for 2-(4-oxo-3H-phthalazin-1-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide is O=C(Cc1n[nH]c(=O)c2ccccc12)NNc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-(4-oxo-3H-phthalazin-1-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide?
The InChIKey is XUUARWYWEXDCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3N4O2/c17-8-5-11(18)15(12(19)6-8)22-21-14(24)7-13-9-3-1-2-4-10(9)16(25)23-20-13/h1-6,22H,7H2,(H,21,24)(H,23,25).
What are the key properties of 2-(4-oxo-3H-phthalazin-1-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide?
2-(4-oxo-3H-phthalazin-1-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide has a molecular weight of 397.65 g/mol, XLogP of 3.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3H-phthalazin-1-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide is sourced from PubChem (CID 34933676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).