N-[(Z)-(3-chlorophenyl)methylideneamino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide

C19H17ClN4O2 — CID 9464884

IUPACN-[(Z)-(3-chlorophenyl)methylideneamino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
SMILESCC(C)n1nc(C(=O)N/N=C\c2cccc(Cl)c2)c2ccccc2c1=O
InChIInChI=1S/C19H17ClN4O2/c1-12(2)24-19(26)16-9-4-3-8-15(16)17(23-24)18(25)22-21-11-13-6-5-7-14(20)10-13/h3-12H,1-2H3,(H,22,25)/b21-11-
InChIKeySKKJZYBSNHMARU-NHDPSOOVSA-N
MW368.82 g/mol
LogP3.39
Rot. Bonds4

About N-[(Z)-(3-chlorophenyl)methylideneamino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide

N-[(Z)-(3-chlorophenyl)methylideneamino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide (PubChem CID 9464884) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-[(Z)-(3-chlorophenyl)methylideneamino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-chlorophenyl)methylideneamino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
PubChem CID9464884
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC NameN-[(Z)-(3-chlorophenyl)methylideneamino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
SMILESCC(C)n1nc(C(=O)N/N=C\c2cccc(Cl)c2)c2ccccc2c1=O
InChIInChI=1S/C19H17ClN4O2/c1-12(2)24-19(26)16-9-4-3-8-15(16)17(23-24)18(25)22-21-11-13-6-5-7-14(20)10-13/h3-12H,1-2H3,(H,22,25)/b21-11-
InChIKeySKKJZYBSNHMARU-NHDPSOOVSA-N
XLogP3.39
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 9464915
4-oxo-3-propan-2-yl-N-[(Z)-pyridin-4-ylmethylideneamino]phthalazine-1-carboxamide
CID 9464908
N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 9464971
4-oxo-3-propan-2-yl-N-[(Z)-pyridin-2-ylmethylideneamino]phthalazine-1-carboxamide
CID 9464783
3-ethyl-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-oxophthalazine-1-carboxamide
CID 9462962
N-[(Z)-1-(4-chlorophenyl)propylideneamino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 9464953
N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 9394597
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 135811255
N'-(5-chloro-2-methoxybenzoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 26874893
N-[(3-chlorophenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
CID 725244
4-oxo-N-phenyl-3-propan-2-ylphthalazine-1-carboxamide
CID 2598592
N-[(3,4-dimethoxyphenyl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 4848632

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-chlorophenyl)methylideneamino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
The IUPAC name of N-[(Z)-(3-chlorophenyl)methylideneamino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide (CID 9464884) is N-[(Z)-(3-chlorophenyl)methylideneamino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide.
What is the SMILES notation for N-[(Z)-(3-chlorophenyl)methylideneamino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
The canonical SMILES for N-[(Z)-(3-chlorophenyl)methylideneamino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide is CC(C)n1nc(C(=O)N/N=C\c2cccc(Cl)c2)c2ccccc2c1=O.
What is the InChIKey of N-[(Z)-(3-chlorophenyl)methylideneamino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
The InChIKey is SKKJZYBSNHMARU-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-12(2)24-19(26)16-9-4-3-8-15(16)17(23-24)18(25)22-21-11-13-6-5-7-14(20)10-13/h3-12H,1-2H3,(H,22,25)/b21-11-.
What are the key properties of N-[(Z)-(3-chlorophenyl)methylideneamino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
N-[(Z)-(3-chlorophenyl)methylideneamino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-chlorophenyl)methylideneamino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide is sourced from PubChem (CID 9464884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).