N-(5-bromo-2-methylphenyl)-4-chlorophthalazin-1-amine

C15H11BrClN3 — CID 63549412

IUPACN-(5-bromo-2-methylphenyl)-4-chlorophthalazin-1-amine
SMILESCc1ccc(Br)cc1Nc1nnc(Cl)c2ccccc12
InChIInChI=1S/C15H11BrClN3/c1-9-6-7-10(16)8-13(9)18-15-12-5-3-2-4-11(12)14(17)19-20-15/h2-8H,1H3,(H,18,20)
InChIKeyRNBONAUQYCUORG-UHFFFAOYSA-N
MW348.63 g/mol
LogP5.10
Rot. Bonds2

About N-(5-bromo-2-methylphenyl)-4-chlorophthalazin-1-amine

N-(5-bromo-2-methylphenyl)-4-chlorophthalazin-1-amine (PubChem CID 63549412) has the molecular formula C15H11BrClN3 and a molecular weight of 348.63 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-4-chlorophthalazin-1-amine.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-4-chlorophthalazin-1-amine
PubChem CID63549412
Molecular FormulaC15H11BrClN3
Molecular Weight348.63 g/mol
Exact Mass346.98
IUPAC NameN-(5-bromo-2-methylphenyl)-4-chlorophthalazin-1-amine
SMILESCc1ccc(Br)cc1Nc1nnc(Cl)c2ccccc12
InChIInChI=1S/C15H11BrClN3/c1-9-6-7-10(16)8-13(9)18-15-12-5-3-2-4-11(12)14(17)19-20-15/h2-8H,1H3,(H,18,20)
InChIKeyRNBONAUQYCUORG-UHFFFAOYSA-N
XLogP5.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.63
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-bromo-2-methylphenyl)-4-chlorophthalazin-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

Related Compounds

N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorophthalazin-1-amine
CID 104724853
N-(4-bromo-3,5-dimethylphenyl)-4-chlorophthalazin-1-amine
CID 107576787
N-(3-bromophenyl)-4-chlorophthalazin-1-amine
CID 63549234
N-(2-bromo-3-chlorophenyl)-4-chlorophthalazin-1-amine
CID 103480989
4-chloro-N-(2-iodophenyl)phthalazin-1-amine
CID 55221849
2-(4-chlorophthalazin-1-yl)-1,1-dimethylhydrazine
CID 115280256
N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorophthalazin-1-amine
CID 106194292
N-[(3-bromophenyl)methyl]-4-chlorophthalazin-1-amine
CID 62141748
N-(5-bromo-2-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320740
4-chloro-N-ethylphthalazin-1-amine
CID 62140798
4-chloro-N-(3-methylsulfanylphenyl)phthalazin-1-amine
CID 62139671
4-N-(5-bromo-2-methylphenyl)-2-chloro-5-methylbenzene-1,4-diamine
CID 115554624

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-4-chlorophthalazin-1-amine?
The IUPAC name of N-(5-bromo-2-methylphenyl)-4-chlorophthalazin-1-amine (CID 63549412) is N-(5-bromo-2-methylphenyl)-4-chlorophthalazin-1-amine.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-4-chlorophthalazin-1-amine?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-4-chlorophthalazin-1-amine is Cc1ccc(Br)cc1Nc1nnc(Cl)c2ccccc12.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-4-chlorophthalazin-1-amine?
The InChIKey is RNBONAUQYCUORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN3/c1-9-6-7-10(16)8-13(9)18-15-12-5-3-2-4-11(12)14(17)19-20-15/h2-8H,1H3,(H,18,20).
What are the key properties of N-(5-bromo-2-methylphenyl)-4-chlorophthalazin-1-amine?
N-(5-bromo-2-methylphenyl)-4-chlorophthalazin-1-amine has a molecular weight of 348.63 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-4-chlorophthalazin-1-amine is sourced from PubChem (CID 63549412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).