N-(3-bromophenyl)-4-chlorophthalazin-1-amine

C14H9BrClN3 — CID 63549234

IUPACN-(3-bromophenyl)-4-chlorophthalazin-1-amine
SMILESClc1nnc(Nc2cccc(Br)c2)c2ccccc12
InChIInChI=1S/C14H9BrClN3/c15-9-4-3-5-10(8-9)17-14-12-7-2-1-6-11(12)13(16)18-19-14/h1-8H,(H,17,19)
InChIKeyOMFQRCAMJBHYBF-UHFFFAOYSA-N
MW334.60 g/mol
LogP4.79
Rot. Bonds2

About N-(3-bromophenyl)-4-chlorophthalazin-1-amine

N-(3-bromophenyl)-4-chlorophthalazin-1-amine (PubChem CID 63549234) has the molecular formula C14H9BrClN3 and a molecular weight of 334.60 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-chlorophthalazin-1-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-chlorophthalazin-1-amine
PubChem CID63549234
Molecular FormulaC14H9BrClN3
Molecular Weight334.60 g/mol
Exact Mass332.97
IUPAC NameN-(3-bromophenyl)-4-chlorophthalazin-1-amine
SMILESClc1nnc(Nc2cccc(Br)c2)c2ccccc12
InChIInChI=1S/C14H9BrClN3/c15-9-4-3-5-10(8-9)17-14-12-7-2-1-6-11(12)13(16)18-19-14/h1-8H,(H,17,19)
InChIKeyOMFQRCAMJBHYBF-UHFFFAOYSA-N
XLogP4.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.60
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-chlorophthalazin-1-amine?
The IUPAC name of N-(3-bromophenyl)-4-chlorophthalazin-1-amine (CID 63549234) is N-(3-bromophenyl)-4-chlorophthalazin-1-amine.
What is the SMILES notation for N-(3-bromophenyl)-4-chlorophthalazin-1-amine?
The canonical SMILES for N-(3-bromophenyl)-4-chlorophthalazin-1-amine is Clc1nnc(Nc2cccc(Br)c2)c2ccccc12.
What is the InChIKey of N-(3-bromophenyl)-4-chlorophthalazin-1-amine?
The InChIKey is OMFQRCAMJBHYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN3/c15-9-4-3-5-10(8-9)17-14-12-7-2-1-6-11(12)13(16)18-19-14/h1-8H,(H,17,19).
What are the key properties of N-(3-bromophenyl)-4-chlorophthalazin-1-amine?
N-(3-bromophenyl)-4-chlorophthalazin-1-amine has a molecular weight of 334.60 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-4-chlorophthalazin-1-amine is sourced from PubChem (CID 63549234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).