N'-[3-(4-fluorophenyl)propanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide

C19H17FN4O3 — CID 51195423

IUPACN'-[3-(4-fluorophenyl)propanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide
SMILESCn1nc(C(=O)NNC(=O)CCc2ccc(F)cc2)c2ccccc2c1=O
InChIInChI=1S/C19H17FN4O3/c1-24-19(27)15-5-3-2-4-14(15)17(23-24)18(26)22-21-16(25)11-8-12-6-9-13(20)10-7-12/h2-7,9-10H,8,11H2,1H3,(H,21,25)(H,22,26)
InChIKeyZUKWIWSJIPJXFP-UHFFFAOYSA-N
MW368.37 g/mol
LogP1.47
Rot. Bonds4

About N'-[3-(4-fluorophenyl)propanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide

N'-[3-(4-fluorophenyl)propanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide (PubChem CID 51195423) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is N'-[3-(4-fluorophenyl)propanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(4-fluorophenyl)propanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide
PubChem CID51195423
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC NameN'-[3-(4-fluorophenyl)propanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide
SMILESCn1nc(C(=O)NNC(=O)CCc2ccc(F)cc2)c2ccccc2c1=O
InChIInChI=1S/C19H17FN4O3/c1-24-19(27)15-5-3-2-4-14(15)17(23-24)18(26)22-21-16(25)11-8-12-6-9-13(20)10-7-12/h2-7,9-10H,8,11H2,1H3,(H,21,25)(H,22,26)
InChIKeyZUKWIWSJIPJXFP-UHFFFAOYSA-N
XLogP1.47
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 51.47
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-methyl-4-oxo-N'-(2-phenylacetyl)phthalazine-1-carbohydrazide
CID 7750621
N'-[3-(4-ethylphenyl)propanoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 9428189
N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 2580288
3-methyl-4-oxo-N'-(3-phenylbutanoyl)phthalazine-1-carbohydrazide
CID 42908214
N-methyl-4-[3-oxo-3-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]propyl]benzenesulfonamide
CID 27566478
3-benzyl-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]-4-oxophthalazine-1-carbohydrazide
CID 25435249
3-methyl-4-oxo-N'-(1H-pyrazole-5-carbonyl)phthalazine-1-carbohydrazide
CID 60520729
N'-[2-(4-fluorophenyl)sulfanylacetyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 27551825
N'-[4-(4-chlorophenyl)butanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 55788932
N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24540583
N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822185
N-(2-chloro-4-fluorophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 4810793

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-fluorophenyl)propanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide?
The IUPAC name of N'-[3-(4-fluorophenyl)propanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide (CID 51195423) is N'-[3-(4-fluorophenyl)propanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide.
What is the SMILES notation for N'-[3-(4-fluorophenyl)propanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide?
The canonical SMILES for N'-[3-(4-fluorophenyl)propanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide is Cn1nc(C(=O)NNC(=O)CCc2ccc(F)cc2)c2ccccc2c1=O.
What is the InChIKey of N'-[3-(4-fluorophenyl)propanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide?
The InChIKey is ZUKWIWSJIPJXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-24-19(27)15-5-3-2-4-14(15)17(23-24)18(26)22-21-16(25)11-8-12-6-9-13(20)10-7-12/h2-7,9-10H,8,11H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N'-[3-(4-fluorophenyl)propanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide?
N'-[3-(4-fluorophenyl)propanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide has a molecular weight of 368.37 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-fluorophenyl)propanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide is sourced from PubChem (CID 51195423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).