N-(4-chlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine

C21H16ClN3 — CID 1386625

IUPACN-(4-chlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine
SMILESCc1ccc(-c2nnc(Nc3ccc(Cl)cc3)c3ccccc23)cc1
InChIInChI=1S/C21H16ClN3/c1-14-6-8-15(9-7-14)20-18-4-2-3-5-19(18)21(25-24-20)23-17-12-10-16(22)11-13-17/h2-13H,1H3,(H,23,25)
InChIKeyVEPHZFSZVMEENH-UHFFFAOYSA-N
MW345.83 g/mol
LogP6.00
Rot. Bonds3

About N-(4-chlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine

N-(4-chlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine (PubChem CID 1386625) has the molecular formula C21H16ClN3 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine
PubChem CID1386625
Molecular FormulaC21H16ClN3
Molecular Weight345.83 g/mol
Exact Mass345.10
IUPAC NameN-(4-chlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine
SMILESCc1ccc(-c2nnc(Nc3ccc(Cl)cc3)c3ccccc23)cc1
InChIInChI=1S/C21H16ClN3/c1-14-6-8-15(9-7-14)20-18-4-2-3-5-19(18)21(25-24-20)23-17-12-10-16(22)11-13-17/h2-13H,1H3,(H,23,25)
InChIKeyVEPHZFSZVMEENH-UHFFFAOYSA-N
XLogP6.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.83
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-chlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine?
The IUPAC name of N-(4-chlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine (CID 1386625) is N-(4-chlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine?
The canonical SMILES for N-(4-chlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine is Cc1ccc(-c2nnc(Nc3ccc(Cl)cc3)c3ccccc23)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine?
The InChIKey is VEPHZFSZVMEENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3/c1-14-6-8-15(9-7-14)20-18-4-2-3-5-19(18)21(25-24-20)23-17-12-10-16(22)11-13-17/h2-13H,1H3,(H,23,25).
What are the key properties of N-(4-chlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine?
N-(4-chlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine has a molecular weight of 345.83 g/mol, XLogP of 6.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine is sourced from PubChem (CID 1386625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).