2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylacetamide

C12H9Cl2N3O2 — CID 819240

IUPAC2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylacetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1ncccn1
InChIInChI=1S/C12H9Cl2N3O2/c13-8-2-3-10(9(14)6-8)19-7-11(18)17-12-15-4-1-5-16-12/h1-6H,7H2,(H,15,16,17,18)
InChIKeyLBQURLWBGPIXCS-UHFFFAOYSA-N
MW298.13 g/mol
LogP2.80
Rot. Bonds4

About 2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylacetamide

2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylacetamide (PubChem CID 819240) has the molecular formula C12H9Cl2N3O2 and a molecular weight of 298.13 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylacetamide
PubChem CID819240
Molecular FormulaC12H9Cl2N3O2
Molecular Weight298.13 g/mol
Exact Mass297.01
IUPAC Name2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylacetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1ncccn1
InChIInChI=1S/C12H9Cl2N3O2/c13-8-2-3-10(9(14)6-8)19-7-11(18)17-12-15-4-1-5-16-12/h1-6H,7H2,(H,15,16,17,18)
InChIKeyLBQURLWBGPIXCS-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

N-(5-chloropyridin-2-yl)-2-phenoxyacetamide
CID 738246
2-(4-chlorophenoxy)-N-(pyrimidin-2-yl)acetamide
CID 686157
2-(2,4-dichlorophenoxy)-N-(2-((4-methoxy-6-methylpyrimidin-2-yl)oxy)ethyl)acetamide
CID 654040
2-(2,4-dichlorophenoxy)-N-pyridin-2-ylacetamide
CID 792334
4-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylbutanamide
CID 2244635
4-(2,4-dichlorophenoxy)-N-(pyridin-2-yl)butanamide
CID 1581462
4-[1-(2,4-Dichlorophenoxy)ethyl]pyrimidin-2-amine
CID 4364908
2-(4-chlorophenoxy)-N-(5-chloropyridin-2-yl)acetamide
CID 646465
N-(5-chloropyridin-2-yl)-2-(2,4-dichlorophenoxy)acetamide
CID 871057
2-(2-chlorophenoxy)-N-(5-chloro-2-pyridinyl)acetamide
CID 883796
N-Cyclohexyl-2-(2,4-dichloro-phenoxy)-N-pyridin-2-yl-acetamide
CID 1167408
2-(4-Chlorophenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 2103434

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylacetamide (CID 819240) is 2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylacetamide is O=C(COc1ccc(Cl)cc1Cl)Nc1ncccn1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylacetamide?
The InChIKey is LBQURLWBGPIXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O2/c13-8-2-3-10(9(14)6-8)19-7-11(18)17-12-15-4-1-5-16-12/h1-6H,7H2,(H,15,16,17,18).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylacetamide?
2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylacetamide 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 2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 819240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).