4-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine

C15H10Cl2N4 — CID 6891660

IUPAC4-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine
SMILESClc1ccc(/C=N/Nc2nnc(Cl)c3ccccc23)cc1
InChIInChI=1S/C15H10Cl2N4/c16-11-7-5-10(6-8-11)9-18-20-15-13-4-2-1-3-12(13)14(17)19-21-15/h1-9H,(H,20,21)/b18-9+
InChIKeyVEKHXAVAXLIZJO-GIJQJNRQSA-N
MW317.18 g/mol
LogP4.38
Rot. Bonds3

About 4-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine

4-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine (PubChem CID 6891660) has the molecular formula C15H10Cl2N4 and a molecular weight of 317.18 g/mol. Its IUPAC name is 4-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine.

Molecular Properties

Compound Name4-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine
PubChem CID6891660
Molecular FormulaC15H10Cl2N4
Molecular Weight317.18 g/mol
Exact Mass316.03
IUPAC Name4-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine
SMILESClc1ccc(/C=N/Nc2nnc(Cl)c3ccccc23)cc1
InChIInChI=1S/C15H10Cl2N4/c16-11-7-5-10(6-8-11)9-18-20-15-13-4-2-1-3-12(13)14(17)19-21-15/h1-9H,(H,20,21)/b18-9+
InChIKeyVEKHXAVAXLIZJO-GIJQJNRQSA-N
XLogP4.38
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 54.38
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine?
The IUPAC name of 4-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine (CID 6891660) is 4-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine.
What is the SMILES notation for 4-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine?
The canonical SMILES for 4-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine is Clc1ccc(/C=N/Nc2nnc(Cl)c3ccccc23)cc1.
What is the InChIKey of 4-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine?
The InChIKey is VEKHXAVAXLIZJO-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H10Cl2N4/c16-11-7-5-10(6-8-11)9-18-20-15-13-4-2-1-3-12(13)14(17)19-21-15/h1-9H,(H,20,21)/b18-9+.
What are the key properties of 4-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine?
4-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine has a molecular weight of 317.18 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine is sourced from PubChem (CID 6891660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).