N'-[4-(difluoromethoxy)benzoyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide

C20H18F2N4O4 — CID 4855036

IUPACN'-[4-(difluoromethoxy)benzoyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
SMILESCC(C)n1nc(C(=O)NNC(=O)c2ccc(OC(F)F)cc2)c2ccccc2c1=O
InChIInChI=1S/C20H18F2N4O4/c1-11(2)26-19(29)15-6-4-3-5-14(15)16(25-26)18(28)24-23-17(27)12-7-9-13(10-8-12)30-20(21)22/h3-11,20H,1-2H3,(H,23,27)(H,24,28)
InChIKeyZKPJVZSKCODILN-UHFFFAOYSA-N
MW416.38 g/mol
LogP2.65
Rot. Bonds5

About N'-[4-(difluoromethoxy)benzoyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide

N'-[4-(difluoromethoxy)benzoyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide (PubChem CID 4855036) has the molecular formula C20H18F2N4O4 and a molecular weight of 416.38 g/mol. Its IUPAC name is N'-[4-(difluoromethoxy)benzoyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(difluoromethoxy)benzoyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
PubChem CID4855036
Molecular FormulaC20H18F2N4O4
Molecular Weight416.38 g/mol
Exact Mass416.13
IUPAC NameN'-[4-(difluoromethoxy)benzoyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
SMILESCC(C)n1nc(C(=O)NNC(=O)c2ccc(OC(F)F)cc2)c2ccccc2c1=O
InChIInChI=1S/C20H18F2N4O4/c1-11(2)26-19(29)15-6-4-3-5-14(15)16(25-26)18(28)24-23-17(27)12-7-9-13(10-8-12)30-20(21)22/h3-11,20H,1-2H3,(H,23,27)(H,24,28)
InChIKeyZKPJVZSKCODILN-UHFFFAOYSA-N
XLogP2.65
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(difluoromethoxy)benzoyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide?
The IUPAC name of N'-[4-(difluoromethoxy)benzoyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide (CID 4855036) is N'-[4-(difluoromethoxy)benzoyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide.
What is the SMILES notation for N'-[4-(difluoromethoxy)benzoyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide?
The canonical SMILES for N'-[4-(difluoromethoxy)benzoyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide is CC(C)n1nc(C(=O)NNC(=O)c2ccc(OC(F)F)cc2)c2ccccc2c1=O.
What is the InChIKey of N'-[4-(difluoromethoxy)benzoyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide?
The InChIKey is ZKPJVZSKCODILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O4/c1-11(2)26-19(29)15-6-4-3-5-14(15)16(25-26)18(28)24-23-17(27)12-7-9-13(10-8-12)30-20(21)22/h3-11,20H,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N'-[4-(difluoromethoxy)benzoyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide?
N'-[4-(difluoromethoxy)benzoyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide has a molecular weight of 416.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(difluoromethoxy)benzoyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide is sourced from PubChem (CID 4855036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).