N-(2-bromo-4-methylphenyl)-2-(2-phenylpyrimidin-5-yl)oxyacetamide

C19H16BrN3O2 — CID 39009374

IUPACN-(2-bromo-4-methylphenyl)-2-(2-phenylpyrimidin-5-yl)oxyacetamide
SMILESCc1ccc(NC(=O)COc2cnc(-c3ccccc3)nc2)c(Br)c1
InChIInChI=1S/C19H16BrN3O2/c1-13-7-8-17(16(20)9-13)23-18(24)12-25-15-10-21-19(22-11-15)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,23,24)
InChIKeyPWTQNHXLGXNNFR-UHFFFAOYSA-N
MW398.26 g/mol
LogP4.23
Rot. Bonds5

About N-(2-bromo-4-methylphenyl)-2-(2-phenylpyrimidin-5-yl)oxyacetamide

N-(2-bromo-4-methylphenyl)-2-(2-phenylpyrimidin-5-yl)oxyacetamide (PubChem CID 39009374) has the molecular formula C19H16BrN3O2 and a molecular weight of 398.26 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(2-phenylpyrimidin-5-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(2-phenylpyrimidin-5-yl)oxyacetamide
PubChem CID39009374
Molecular FormulaC19H16BrN3O2
Molecular Weight398.26 g/mol
Exact Mass397.04
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(2-phenylpyrimidin-5-yl)oxyacetamide
SMILESCc1ccc(NC(=O)COc2cnc(-c3ccccc3)nc2)c(Br)c1
InChIInChI=1S/C19H16BrN3O2/c1-13-7-8-17(16(20)9-13)23-18(24)12-25-15-10-21-19(22-11-15)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,23,24)
InChIKeyPWTQNHXLGXNNFR-UHFFFAOYSA-N
XLogP4.23
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-pyridin-3-yloxyacetamide
CID 110862951
N-(2-bromo-4-methylphenyl)-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713871
ethyl 4-[2-(2-bromo-4-methylanilino)-2-oxoethoxy]benzoate
CID 34569554
2-phenoxy-N-(2-phenylpyrimidin-5-yl)acetamide
CID 17407421
N-(2-bromo-4-methylphenyl)-2-(3-cyanophenoxy)acetamide
CID 2591410
N-(2-bromophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
CID 53136821
N-(2-bromo-4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556220
N-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 7751301
[2-(2-bromo-4-methylanilino)-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 7834241
N-(2-bromophenyl)-2-(4-phenylphenoxy)acetamide
CID 1193865
2-[(Z)-benzylideneamino]oxy-N-(2-bromo-4-methylphenyl)acetamide
CID 7643958
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(2-phenylpyrimidin-5-yl)oxyacetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(2-phenylpyrimidin-5-yl)oxyacetamide (CID 39009374) is N-(2-bromo-4-methylphenyl)-2-(2-phenylpyrimidin-5-yl)oxyacetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(2-phenylpyrimidin-5-yl)oxyacetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(2-phenylpyrimidin-5-yl)oxyacetamide is Cc1ccc(NC(=O)COc2cnc(-c3ccccc3)nc2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(2-phenylpyrimidin-5-yl)oxyacetamide?
The InChIKey is PWTQNHXLGXNNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O2/c1-13-7-8-17(16(20)9-13)23-18(24)12-25-15-10-21-19(22-11-15)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,23,24).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(2-phenylpyrimidin-5-yl)oxyacetamide?
N-(2-bromo-4-methylphenyl)-2-(2-phenylpyrimidin-5-yl)oxyacetamide has a molecular weight of 398.26 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-(2-phenylpyrimidin-5-yl)oxyacetamide is sourced from PubChem (CID 39009374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).