N-(5,6-dichloropyrimidin-4-yl)-2-phenoxyacetamide

C12H9Cl2N3O2 — CID 114050083

IUPACN-(5,6-dichloropyrimidin-4-yl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ncnc(Cl)c1Cl
InChIInChI=1S/C12H9Cl2N3O2/c13-10-11(14)15-7-16-12(10)17-9(18)6-19-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,15,16,17,18)
InChIKeyCBRKVZJYXRYQJD-UHFFFAOYSA-N
MW298.13 g/mol
LogP2.80
Rot. Bonds4

About N-(5,6-dichloropyrimidin-4-yl)-2-phenoxyacetamide

N-(5,6-dichloropyrimidin-4-yl)-2-phenoxyacetamide (PubChem CID 114050083) has the molecular formula C12H9Cl2N3O2 and a molecular weight of 298.13 g/mol. Its IUPAC name is N-(5,6-dichloropyrimidin-4-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(5,6-dichloropyrimidin-4-yl)-2-phenoxyacetamide
PubChem CID114050083
Molecular FormulaC12H9Cl2N3O2
Molecular Weight298.13 g/mol
Exact Mass297.01
IUPAC NameN-(5,6-dichloropyrimidin-4-yl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ncnc(Cl)c1Cl
InChIInChI=1S/C12H9Cl2N3O2/c13-10-11(14)15-7-16-12(10)17-9(18)6-19-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,15,16,17,18)
InChIKeyCBRKVZJYXRYQJD-UHFFFAOYSA-N
XLogP2.80
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[(2-phenoxyacetyl)amino]purin-9-yl] acetate
CID 67614880
N'-chloro-2-phenoxyacetohydrazide
CID 174818653
N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyacetamide
CID 47148567
N-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide
CID 1247989
N-(2-chloro-7H-purin-9-ium-6-yl)-2-phenoxyacetamide
CID 123835648
N-(3,4-dichlorophenyl)-2-(4-phenoxyphenoxy)acetamide
CID 2319916
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
N-[6-(2-chloroanilino)pyridazin-3-yl]-2-phenoxyacetamide
CID 113047377
N-(3-chloro-4-fluorophenyl)-2-phenoxyacetamide
CID 924892
2-phenoxy-N-(2-phenylpyrimidin-5-yl)acetamide
CID 17407421
N-(5-bromo-2-pyridinyl)-2-phenoxyacetamide
CID 780284
N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dichloropyrimidin-4-yl)-2-phenoxyacetamide?
The IUPAC name of N-(5,6-dichloropyrimidin-4-yl)-2-phenoxyacetamide (CID 114050083) is N-(5,6-dichloropyrimidin-4-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(5,6-dichloropyrimidin-4-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(5,6-dichloropyrimidin-4-yl)-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ncnc(Cl)c1Cl.
What is the InChIKey of N-(5,6-dichloropyrimidin-4-yl)-2-phenoxyacetamide?
The InChIKey is CBRKVZJYXRYQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O2/c13-10-11(14)15-7-16-12(10)17-9(18)6-19-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,15,16,17,18).
What are the key properties of N-(5,6-dichloropyrimidin-4-yl)-2-phenoxyacetamide?
N-(5,6-dichloropyrimidin-4-yl)-2-phenoxyacetamide has a molecular weight of 298.13 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dichloropyrimidin-4-yl)-2-phenoxyacetamide is sourced from PubChem (CID 114050083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).