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

C15H10BrCl2N3 — CID 104724853

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-4-chlorophthalazin-1-amine
SMILESCc1cc(Br)c(Nc2nnc(Cl)c3ccccc23)cc1Cl
InChIInChI=1S/C15H10BrCl2N3/c1-8-6-11(16)13(7-12(8)17)19-15-10-5-3-2-4-9(10)14(18)20-21-15/h2-7H,1H3,(H,19,21)
InChIKeyLQYBBMJWHHLXMT-UHFFFAOYSA-N
MW383.08 g/mol
LogP5.75
Rot. Bonds2

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

N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorophthalazin-1-amine (PubChem CID 104724853) has the molecular formula C15H10BrCl2N3 and a molecular weight of 383.08 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorophthalazin-1-amine.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-4-chlorophthalazin-1-amine
PubChem CID104724853
Molecular FormulaC15H10BrCl2N3
Molecular Weight383.08 g/mol
Exact Mass380.94
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-4-chlorophthalazin-1-amine
SMILESCc1cc(Br)c(Nc2nnc(Cl)c3ccccc23)cc1Cl
InChIInChI=1S/C15H10BrCl2N3/c1-8-6-11(16)13(7-12(8)17)19-15-10-5-3-2-4-9(10)14(18)20-21-15/h2-7H,1H3,(H,19,21)
InChIKeyLQYBBMJWHHLXMT-UHFFFAOYSA-N
XLogP5.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.08
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-methylphenyl)-4-chlorophthalazin-1-amine
CID 63549412
N-(4-bromo-3,5-dimethylphenyl)-4-chlorophthalazin-1-amine
CID 107576787
N-(2-bromo-3-chlorophenyl)-4-chlorophthalazin-1-amine
CID 103480989
N-(2-bromo-5-chloro-4-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine
CID 104724894
4-chloro-N-(2-iodophenyl)phthalazin-1-amine
CID 55221849
6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methylpyridine-2,6-diamine
CID 104725517
2-(4-chlorophthalazin-1-yl)-1,1-dimethylhydrazine
CID 115280256
1-chloro-4-(2,5-dibromo-4-methylphenyl)phthalazine
CID 81473769
4-chloro-N-ethylphthalazin-1-amine
CID 62140798
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 113445582
4-chloro-N-(3-methylsulfanylphenyl)phthalazin-1-amine
CID 62139671
2-(2-bromo-5-chloro-4-methylanilino)-6-chlorobenzonitrile
CID 104723788

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorophthalazin-1-amine?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorophthalazin-1-amine (CID 104724853) is N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorophthalazin-1-amine.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorophthalazin-1-amine?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorophthalazin-1-amine is Cc1cc(Br)c(Nc2nnc(Cl)c3ccccc23)cc1Cl.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorophthalazin-1-amine?
The InChIKey is LQYBBMJWHHLXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2N3/c1-8-6-11(16)13(7-12(8)17)19-15-10-5-3-2-4-9(10)14(18)20-21-15/h2-7H,1H3,(H,19,21).
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorophthalazin-1-amine?
N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorophthalazin-1-amine has a molecular weight of 383.08 g/mol, XLogP of 5.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorophthalazin-1-amine is sourced from PubChem (CID 104724853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).