N-(4-bromo-2-methylphenyl)-2-phthalazin-1-yloxyacetamide

C17H14BrN3O2 — CID 78767239

IUPACN-(4-bromo-2-methylphenyl)-2-phthalazin-1-yloxyacetamide
SMILESCc1cc(Br)ccc1NC(=O)COc1nncc2ccccc12
InChIInChI=1S/C17H14BrN3O2/c1-11-8-13(18)6-7-15(11)20-16(22)10-23-17-14-5-3-2-4-12(14)9-19-21-17/h2-9H,10H2,1H3,(H,20,22)
InChIKeyOUFTZSDXMINWGZ-UHFFFAOYSA-N
MW372.22 g/mol
LogP3.72
Rot. Bonds4

About N-(4-bromo-2-methylphenyl)-2-phthalazin-1-yloxyacetamide

N-(4-bromo-2-methylphenyl)-2-phthalazin-1-yloxyacetamide (PubChem CID 78767239) has the molecular formula C17H14BrN3O2 and a molecular weight of 372.22 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-phthalazin-1-yloxyacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-phthalazin-1-yloxyacetamide
PubChem CID78767239
Molecular FormulaC17H14BrN3O2
Molecular Weight372.22 g/mol
Exact Mass371.03
IUPAC NameN-(4-bromo-2-methylphenyl)-2-phthalazin-1-yloxyacetamide
SMILESCc1cc(Br)ccc1NC(=O)COc1nncc2ccccc12
InChIInChI=1S/C17H14BrN3O2/c1-11-8-13(18)6-7-15(11)20-16(22)10-23-17-14-5-3-2-4-12(14)9-19-21-17/h2-9H,10H2,1H3,(H,20,22)
InChIKeyOUFTZSDXMINWGZ-UHFFFAOYSA-N
XLogP3.72
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-naphthalen-1-yloxyacetamide
CID 1325558
N-(4-tert-butylphenyl)-2-phthalazin-1-yloxyacetamide
CID 51142044
2-(4-bromo-2-methylphenoxy)-N-naphthalen-1-ylacetamide
CID 1328520
N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3489380
N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide
CID 7613552
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 7828670
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate
CID 31661543
2-(4-bromo-2-methylphenoxy)-N-[4-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 5180819
2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 3343773
N-(4-bromo-2-methylphenyl)-2-(3-methylphenoxy)acetamide;oxalic acid
CID 171154737
ethyl 4-[2-(4-bromo-2-methylanilino)-2-oxoethoxy]benzoate
CID 34568390
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-hydroxybenzoate
CID 7485046

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-phthalazin-1-yloxyacetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-phthalazin-1-yloxyacetamide (CID 78767239) is N-(4-bromo-2-methylphenyl)-2-phthalazin-1-yloxyacetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-phthalazin-1-yloxyacetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-phthalazin-1-yloxyacetamide is Cc1cc(Br)ccc1NC(=O)COc1nncc2ccccc12.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-phthalazin-1-yloxyacetamide?
The InChIKey is OUFTZSDXMINWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O2/c1-11-8-13(18)6-7-15(11)20-16(22)10-23-17-14-5-3-2-4-12(14)9-19-21-17/h2-9H,10H2,1H3,(H,20,22).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-phthalazin-1-yloxyacetamide?
N-(4-bromo-2-methylphenyl)-2-phthalazin-1-yloxyacetamide has a molecular weight of 372.22 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-phthalazin-1-yloxyacetamide is sourced from PubChem (CID 78767239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).