N-[(Z)-1-(4-chlorophenyl)ethylideneamino]phthalazin-1-amine

C16H13ClN4 — CID 6411959

IUPACN-[(Z)-1-(4-chlorophenyl)ethylideneamino]phthalazin-1-amine
SMILESC/C(=N/Nc1nncc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN4/c1-11(12-6-8-14(17)9-7-12)19-21-16-15-5-3-2-4-13(15)10-18-20-16/h2-10H,1H3,(H,20,21)/b19-11-
InChIKeyNFPZITHIGQFFSN-ODLFYWEKSA-N
MW296.76 g/mol
LogP4.12
Rot. Bonds3

About N-[(Z)-1-(4-chlorophenyl)ethylideneamino]phthalazin-1-amine

N-[(Z)-1-(4-chlorophenyl)ethylideneamino]phthalazin-1-amine (PubChem CID 6411959) has the molecular formula C16H13ClN4 and a molecular weight of 296.76 g/mol. Its IUPAC name is N-[(Z)-1-(4-chlorophenyl)ethylideneamino]phthalazin-1-amine.

Molecular Properties

Compound NameN-[(Z)-1-(4-chlorophenyl)ethylideneamino]phthalazin-1-amine
PubChem CID6411959
Molecular FormulaC16H13ClN4
Molecular Weight296.76 g/mol
Exact Mass296.08
IUPAC NameN-[(Z)-1-(4-chlorophenyl)ethylideneamino]phthalazin-1-amine
SMILESC/C(=N/Nc1nncc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN4/c1-11(12-6-8-14(17)9-7-12)19-21-16-15-5-3-2-4-13(15)10-18-20-16/h2-10H,1H3,(H,20,21)/b19-11-
InChIKeyNFPZITHIGQFFSN-ODLFYWEKSA-N
XLogP4.12
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 54.12
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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Related Compounds

N-[1-(4-methylphenyl)ethylideneamino]phthalazin-1-amine
CID 6795077
N-[(E)-1-(4-methylphenyl)ethylideneamino]phthalazin-1-amine
CID 16553558
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]phthalazin-1-amine
CID 6418037
N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]phthalazin-1-amine
CID 6414863
N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]phthalazin-1-amine
CID 6418691
N-[(Z)-1-(furan-2-yl)ethylideneamino]phthalazin-1-amine
CID 6418050
N-[(E)-4-methylpent-3-en-2-ylideneamino]phthalazin-1-amine
CID 6419536
N-[(Z)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine
CID 6111828
N-[1-[5-(4-fluorophenyl)thiophen-2-yl]ethylideneamino]phthalazin-1-amine
CID 71899134
N-(cyclopentylideneamino)phthalazin-1-amine
CID 7930061
N-(cycloheptylideneamino)phthalazin-1-amine
CID 4855843
2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 8983439

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]phthalazin-1-amine?
The IUPAC name of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]phthalazin-1-amine (CID 6411959) is N-[(Z)-1-(4-chlorophenyl)ethylideneamino]phthalazin-1-amine.
What is the SMILES notation for N-[(Z)-1-(4-chlorophenyl)ethylideneamino]phthalazin-1-amine?
The canonical SMILES for N-[(Z)-1-(4-chlorophenyl)ethylideneamino]phthalazin-1-amine is C/C(=N/Nc1nncc2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]phthalazin-1-amine?
The InChIKey is NFPZITHIGQFFSN-ODLFYWEKSA-N. The full InChI is InChI=1S/C16H13ClN4/c1-11(12-6-8-14(17)9-7-12)19-21-16-15-5-3-2-4-13(15)10-18-20-16/h2-10H,1H3,(H,20,21)/b19-11-.
What are the key properties of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]phthalazin-1-amine?
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]phthalazin-1-amine has a molecular weight of 296.76 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-chlorophenyl)ethylideneamino]phthalazin-1-amine is sourced from PubChem (CID 6411959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).