N-(2-bromo-3-chlorophenyl)-4-chlorophthalazin-1-amine

C14H8BrCl2N3 — CID 103480989

IUPACN-(2-bromo-3-chlorophenyl)-4-chlorophthalazin-1-amine
SMILESClc1cccc(Nc2nnc(Cl)c3ccccc23)c1Br
InChIInChI=1S/C14H8BrCl2N3/c15-12-10(16)6-3-7-11(12)18-14-9-5-2-1-4-8(9)13(17)19-20-14/h1-7H,(H,18,20)
InChIKeyIZZIYYLFUKEOPV-UHFFFAOYSA-N
MW369.05 g/mol
LogP5.44
Rot. Bonds2

About N-(2-bromo-3-chlorophenyl)-4-chlorophthalazin-1-amine

N-(2-bromo-3-chlorophenyl)-4-chlorophthalazin-1-amine (PubChem CID 103480989) has the molecular formula C14H8BrCl2N3 and a molecular weight of 369.05 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-4-chlorophthalazin-1-amine.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-4-chlorophthalazin-1-amine
PubChem CID103480989
Molecular FormulaC14H8BrCl2N3
Molecular Weight369.05 g/mol
Exact Mass366.93
IUPAC NameN-(2-bromo-3-chlorophenyl)-4-chlorophthalazin-1-amine
SMILESClc1cccc(Nc2nnc(Cl)c3ccccc23)c1Br
InChIInChI=1S/C14H8BrCl2N3/c15-12-10(16)6-3-7-11(12)18-14-9-5-2-1-4-8(9)13(17)19-20-14/h1-7H,(H,18,20)
InChIKeyIZZIYYLFUKEOPV-UHFFFAOYSA-N
XLogP5.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.05
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-3-chlorophenyl)-6-chloro-4,5-dimethylpyridazin-3-amine
CID 103480984
N-(2-bromo-3-chlorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine
CID 103481035
4-chloro-N-(2-iodophenyl)phthalazin-1-amine
CID 55221849
N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorophthalazin-1-amine
CID 104724853
N-(3-bromophenyl)-4-chlorophthalazin-1-amine
CID 63549234
N-(5-bromo-2-methylphenyl)-4-chlorophthalazin-1-amine
CID 63549412
N-(4-bromo-3,5-dimethylphenyl)-4-chlorophthalazin-1-amine
CID 107576787
3-bromo-N-(2-bromo-3-chlorophenyl)pyridin-2-amine
CID 103481300
2-(4-chlorophthalazin-1-yl)-1,1-dimethylhydrazine
CID 115280256
1-N-(2-bromo-3-chlorophenyl)-3-chlorobenzene-1,2-diamine
CID 103477400
N-[(2-bromophenyl)methylideneamino]-4-chlorophthalazin-1-amine
CID 1385516
5-bromo-N-(2-bromo-3-chlorophenyl)-3-methylpyridin-2-amine
CID 103481305

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-4-chlorophthalazin-1-amine?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-4-chlorophthalazin-1-amine (CID 103480989) is N-(2-bromo-3-chlorophenyl)-4-chlorophthalazin-1-amine.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-4-chlorophthalazin-1-amine?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-4-chlorophthalazin-1-amine is Clc1cccc(Nc2nnc(Cl)c3ccccc23)c1Br.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-4-chlorophthalazin-1-amine?
The InChIKey is IZZIYYLFUKEOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl2N3/c15-12-10(16)6-3-7-11(12)18-14-9-5-2-1-4-8(9)13(17)19-20-14/h1-7H,(H,18,20).
What are the key properties of N-(2-bromo-3-chlorophenyl)-4-chlorophthalazin-1-amine?
N-(2-bromo-3-chlorophenyl)-4-chlorophthalazin-1-amine has a molecular weight of 369.05 g/mol, XLogP of 5.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-4-chlorophthalazin-1-amine is sourced from PubChem (CID 103480989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).