N'-[2-(2,4-dichlorophenyl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide

C17H12Cl2N4O3 — CID 7907375

IUPACN'-[2-(2,4-dichlorophenyl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide
SMILESO=C(Cc1ccc(Cl)cc1Cl)NNC(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C17H12Cl2N4O3/c18-10-6-5-9(13(19)8-10)7-14(24)20-23-17(26)15-11-3-1-2-4-12(11)16(25)22-21-15/h1-6,8H,7H2,(H,20,24)(H,22,25)(H,23,26)
InChIKeyQEWIQJJHKLFFRL-UHFFFAOYSA-N
MW391.21 g/mol
LogP2.23
Rot. Bonds3

About N'-[2-(2,4-dichlorophenyl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide

N'-[2-(2,4-dichlorophenyl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide (PubChem CID 7907375) has the molecular formula C17H12Cl2N4O3 and a molecular weight of 391.21 g/mol. Its IUPAC name is N'-[2-(2,4-dichlorophenyl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dichlorophenyl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide
PubChem CID7907375
Molecular FormulaC17H12Cl2N4O3
Molecular Weight391.21 g/mol
Exact Mass390.03
IUPAC NameN'-[2-(2,4-dichlorophenyl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide
SMILESO=C(Cc1ccc(Cl)cc1Cl)NNC(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C17H12Cl2N4O3/c18-10-6-5-9(13(19)8-10)7-14(24)20-23-17(26)15-11-3-1-2-4-12(11)16(25)22-21-15/h1-6,8H,7H2,(H,20,24)(H,22,25)(H,23,26)
InChIKeyQEWIQJJHKLFFRL-UHFFFAOYSA-N
XLogP2.23
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.21
LogP ≤ 52.23
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'-[2-(2,4-dichlorophenyl)acetyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 4806048
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide
CID 7907326
N'-(4-methylpentanoyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 26873554
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 9176992
4-chloro-N'-[2-(2,4-dichlorophenyl)acetyl]benzohydrazide
CID 7971635
2-(4-oxo-3H-phthalazin-1-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide
CID 34933676
2,4-difluoro-N-[2-oxo-2-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]ethyl]benzamide
CID 55486716
N'-(2-methylbutanoyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 134012030
N-[(3-chlorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17402682
N'-(3-chloro-1-benzothiophene-2-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 18227296
N'-[3-(2,4-dichlorophenyl)propanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 46577629
N'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-4-oxo-3H-phthalazine-1-carbohydrazide
CID 4849396

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dichlorophenyl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide?
The IUPAC name of N'-[2-(2,4-dichlorophenyl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide (CID 7907375) is N'-[2-(2,4-dichlorophenyl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide.
What is the SMILES notation for N'-[2-(2,4-dichlorophenyl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide?
The canonical SMILES for N'-[2-(2,4-dichlorophenyl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide is O=C(Cc1ccc(Cl)cc1Cl)NNC(=O)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N'-[2-(2,4-dichlorophenyl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide?
The InChIKey is QEWIQJJHKLFFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N4O3/c18-10-6-5-9(13(19)8-10)7-14(24)20-23-17(26)15-11-3-1-2-4-12(11)16(25)22-21-15/h1-6,8H,7H2,(H,20,24)(H,22,25)(H,23,26).
What are the key properties of N'-[2-(2,4-dichlorophenyl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide?
N'-[2-(2,4-dichlorophenyl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide has a molecular weight of 391.21 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dichlorophenyl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide is sourced from PubChem (CID 7907375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).