N'-(5-chloro-2-hydroxybenzoyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide

C20H19ClN4O4 — CID 55468035

IUPACN'-(5-chloro-2-hydroxybenzoyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide
SMILESCC(C)Cn1nc(C(=O)NNC(=O)c2cc(Cl)ccc2O)c2ccccc2c1=O
InChIInChI=1S/C20H19ClN4O4/c1-11(2)10-25-20(29)14-6-4-3-5-13(14)17(24-25)19(28)23-22-18(27)15-9-12(21)7-8-16(15)26/h3-9,11,26H,10H2,1-2H3,(H,22,27)(H,23,28)
InChIKeyCMAKZUXSKKCUQU-UHFFFAOYSA-N
MW414.85 g/mol
LogP2.49
Rot. Bonds4

About N'-(5-chloro-2-hydroxybenzoyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide

N'-(5-chloro-2-hydroxybenzoyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide (PubChem CID 55468035) has the molecular formula C20H19ClN4O4 and a molecular weight of 414.85 g/mol. Its IUPAC name is N'-(5-chloro-2-hydroxybenzoyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-(5-chloro-2-hydroxybenzoyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide
PubChem CID55468035
Molecular FormulaC20H19ClN4O4
Molecular Weight414.85 g/mol
Exact Mass414.11
IUPAC NameN'-(5-chloro-2-hydroxybenzoyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide
SMILESCC(C)Cn1nc(C(=O)NNC(=O)c2cc(Cl)ccc2O)c2ccccc2c1=O
InChIInChI=1S/C20H19ClN4O4/c1-11(2)10-25-20(29)14-6-4-3-5-13(14)17(24-25)19(28)23-22-18(27)15-9-12(21)7-8-16(15)26/h3-9,11,26H,10H2,1-2H3,(H,22,27)(H,23,28)
InChIKeyCMAKZUXSKKCUQU-UHFFFAOYSA-N
XLogP2.49
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.85
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-methylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 4815704
N'-(1-methylindole-3-carbonyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide
CID 55408908
3-(2-methylpropyl)-4-oxo-N'-(2,3,5,6-tetrafluorophenyl)phthalazine-1-carbohydrazide
CID 2094928
N'-(4-chloro-2-iodobenzoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 39704558
N-(2-acetylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 51148476
N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide
CID 9470547
N-(3,5-dimethylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 3944118
N'-(5-chloro-2-methoxybenzoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 26874893
N-(3,5-difluorophenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 134061493
3-(2-methylpropyl)-4-oxo-N-phenylmethoxyphthalazine-1-carboxamide
CID 9227461
N'-[2-(2,4-dichlorophenyl)acetyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 4806048
3-(2-methylpropyl)-4-oxo-N-(4-phenylphenyl)phthalazine-1-carboxamide
CID 7925968

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-hydroxybenzoyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide?
The IUPAC name of N'-(5-chloro-2-hydroxybenzoyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide (CID 55468035) is N'-(5-chloro-2-hydroxybenzoyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide.
What is the SMILES notation for N'-(5-chloro-2-hydroxybenzoyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide?
The canonical SMILES for N'-(5-chloro-2-hydroxybenzoyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide is CC(C)Cn1nc(C(=O)NNC(=O)c2cc(Cl)ccc2O)c2ccccc2c1=O.
What is the InChIKey of N'-(5-chloro-2-hydroxybenzoyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide?
The InChIKey is CMAKZUXSKKCUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O4/c1-11(2)10-25-20(29)14-6-4-3-5-13(14)17(24-25)19(28)23-22-18(27)15-9-12(21)7-8-16(15)26/h3-9,11,26H,10H2,1-2H3,(H,22,27)(H,23,28).
What are the key properties of N'-(5-chloro-2-hydroxybenzoyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide?
N'-(5-chloro-2-hydroxybenzoyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide has a molecular weight of 414.85 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-hydroxybenzoyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide is sourced from PubChem (CID 55468035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).