3-butyl-N'-(4-chlorobenzoyl)-4-oxophthalazine-1-carbohydrazide

C20H19ClN4O3 — CID 2532386

IUPAC3-butyl-N'-(4-chlorobenzoyl)-4-oxophthalazine-1-carbohydrazide
SMILESCCCCn1nc(C(=O)NNC(=O)c2ccc(Cl)cc2)c2ccccc2c1=O
InChIInChI=1S/C20H19ClN4O3/c1-2-3-12-25-20(28)16-7-5-4-6-15(16)17(24-25)19(27)23-22-18(26)13-8-10-14(21)11-9-13/h4-11H,2-3,12H2,1H3,(H,22,26)(H,23,27)
InChIKeyBWVDXQUHFQQZSU-UHFFFAOYSA-N
MW398.85 g/mol
LogP2.92
Rot. Bonds5

About 3-butyl-N'-(4-chlorobenzoyl)-4-oxophthalazine-1-carbohydrazide

3-butyl-N'-(4-chlorobenzoyl)-4-oxophthalazine-1-carbohydrazide (PubChem CID 2532386) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is 3-butyl-N'-(4-chlorobenzoyl)-4-oxophthalazine-1-carbohydrazide.

Molecular Properties

Compound Name3-butyl-N'-(4-chlorobenzoyl)-4-oxophthalazine-1-carbohydrazide
PubChem CID2532386
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC Name3-butyl-N'-(4-chlorobenzoyl)-4-oxophthalazine-1-carbohydrazide
SMILESCCCCn1nc(C(=O)NNC(=O)c2ccc(Cl)cc2)c2ccccc2c1=O
InChIInChI=1S/C20H19ClN4O3/c1-2-3-12-25-20(28)16-7-5-4-6-15(16)17(24-25)19(27)23-22-18(26)13-8-10-14(21)11-9-13/h4-11H,2-3,12H2,1H3,(H,22,26)(H,23,27)
InChIKeyBWVDXQUHFQQZSU-UHFFFAOYSA-N
XLogP2.92
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-butyl-N'-(4-ethylbenzoyl)-4-oxophthalazine-1-carbohydrazide
CID 7995124
3-butyl-N'-(3-chlorobenzoyl)-4-oxophthalazine-1-carbohydrazide
CID 2513605
3-butyl-4-oxo-N'-(pyridine-4-carbonyl)phthalazine-1-carbohydrazide
CID 7536105
N'-[4-(4-chlorophenyl)butanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 55788932
N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24540583
4-oxo-3-pentyl-N'-(thiophene-3-carbonyl)phthalazine-1-carbohydrazide
CID 27679074
4-oxo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]-3-pentylphthalazine-1-carbohydrazide
CID 32755900
[2-(4-chlorophenyl)-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate
CID 42966019
3-butyl-N'-(1H-indazole-3-carbonyl)-4-oxophthalazine-1-carbohydrazide
CID 40672341
N-[4-[[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]carbamoyl]phenyl]furan-2-carboxamide
CID 27679094
3-butyl-4-oxo-N-pentan-3-ylphthalazine-1-carboxamide
CID 2107725
(4-chlorophenyl) 4-oxo-3-pentylphthalazine-1-carboxylate
CID 7900858

Frequently Asked Questions

What is the IUPAC name of 3-butyl-N'-(4-chlorobenzoyl)-4-oxophthalazine-1-carbohydrazide?
The IUPAC name of 3-butyl-N'-(4-chlorobenzoyl)-4-oxophthalazine-1-carbohydrazide (CID 2532386) is 3-butyl-N'-(4-chlorobenzoyl)-4-oxophthalazine-1-carbohydrazide.
What is the SMILES notation for 3-butyl-N'-(4-chlorobenzoyl)-4-oxophthalazine-1-carbohydrazide?
The canonical SMILES for 3-butyl-N'-(4-chlorobenzoyl)-4-oxophthalazine-1-carbohydrazide is CCCCn1nc(C(=O)NNC(=O)c2ccc(Cl)cc2)c2ccccc2c1=O.
What is the InChIKey of 3-butyl-N'-(4-chlorobenzoyl)-4-oxophthalazine-1-carbohydrazide?
The InChIKey is BWVDXQUHFQQZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-2-3-12-25-20(28)16-7-5-4-6-15(16)17(24-25)19(27)23-22-18(26)13-8-10-14(21)11-9-13/h4-11H,2-3,12H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 3-butyl-N'-(4-chlorobenzoyl)-4-oxophthalazine-1-carbohydrazide?
3-butyl-N'-(4-chlorobenzoyl)-4-oxophthalazine-1-carbohydrazide has a molecular weight of 398.85 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-N'-(4-chlorobenzoyl)-4-oxophthalazine-1-carbohydrazide is sourced from PubChem (CID 2532386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).