N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide

C16H10Cl2N4O2 — CID 9176992

IUPACN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
SMILESO=C(N/N=C\c1ccc(Cl)cc1Cl)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C16H10Cl2N4O2/c17-10-6-5-9(13(18)7-10)8-19-21-16(24)14-11-3-1-2-4-12(11)15(23)22-20-14/h1-8H,(H,21,24)(H,22,23)/b19-8-
InChIKeyHRFGMIAHOVEEJM-UWVJOHFNSA-N
MW361.19 g/mol
LogP2.99
Rot. Bonds3

About N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide

N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 9176992) has the molecular formula C16H10Cl2N4O2 and a molecular weight of 361.19 g/mol. Its IUPAC name is N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID9176992
Molecular FormulaC16H10Cl2N4O2
Molecular Weight361.19 g/mol
Exact Mass360.02
IUPAC NameN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
SMILESO=C(N/N=C\c1ccc(Cl)cc1Cl)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C16H10Cl2N4O2/c17-10-6-5-9(13(18)7-10)8-19-21-16(24)14-11-3-1-2-4-12(11)15(23)22-20-14/h1-8H,(H,21,24)(H,22,23)/b19-8-
InChIKeyHRFGMIAHOVEEJM-UWVJOHFNSA-N
XLogP2.99
TPSA87.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.19
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
CID 2831899
N-[(Z)-(2-methylphenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 9177065
N-[(E)-(2,5-dimethyl-1H-pyrrol-3-yl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 135739412
N-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 7912949
N-[(E)-(2-fluoro-4-methylsulfonylphenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 166222246
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 6871078
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 135785100
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
N-[(Z)-(3-methylphenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 9177076
N-[(Z)-(4-anilinophenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 7530707
N-[(2,4-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxaline-2-carboxamide
CID 2809341
N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 9176921

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide (CID 9176992) is N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide is O=C(N/N=C\c1ccc(Cl)cc1Cl)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is HRFGMIAHOVEEJM-UWVJOHFNSA-N. The full InChI is InChI=1S/C16H10Cl2N4O2/c17-10-6-5-9(13(18)7-10)8-19-21-16(24)14-11-3-1-2-4-12(11)15(23)22-20-14/h1-8H,(H,21,24)(H,22,23)/b19-8-.
What are the key properties of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide?
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 361.19 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 9176992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).