2-(4-chlorophenoxy)-N-pyrimidin-2-ylacetamide

C12H10ClN3O2 — CID 686157

IUPAC2-(4-chlorophenoxy)-N-pyrimidin-2-ylacetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ncccn1
InChIInChI=1S/C12H10ClN3O2/c13-9-2-4-10(5-3-9)18-8-11(17)16-12-14-6-1-7-15-12/h1-7H,8H2,(H,14,15,16,17)
InChIKeyVYWAFVKMJMRWQU-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.15
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-pyrimidin-2-ylacetamide

2-(4-chlorophenoxy)-N-pyrimidin-2-ylacetamide (PubChem CID 686157) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-pyrimidin-2-ylacetamide
PubChem CID686157
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name2-(4-chlorophenoxy)-N-pyrimidin-2-ylacetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ncccn1
InChIInChI=1S/C12H10ClN3O2/c13-9-2-4-10(5-3-9)18-8-11(17)16-12-14-6-1-7-15-12/h1-7H,8H2,(H,14,15,16,17)
InChIKeyVYWAFVKMJMRWQU-UHFFFAOYSA-N
XLogP2.15
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloropyridin-2-yl)-2-phenoxyacetamide
CID 738246
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 2129011
2-(2,4-dichlorophenoxy)-N-pyridin-2-ylacetamide
CID 792334
4-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylbutanamide
CID 2244635
4-[1-(4-Chlorophenoxy)ethyl]pyrimidin-2-amine
CID 4271606
BW 48-122
CID 72999
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
2-(4-Chlorophenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 2103434
2-[2-(4-Chlorophenoxy)ethylthio]pyrimidine
CID 2184843
2-(2-Chlorophenoxy)-1-(4-pyrimidin-2-ylpiperazinyl)ethan-1-one
CID 2707505

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-pyrimidin-2-ylacetamide (CID 686157) is 2-(4-chlorophenoxy)-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-pyrimidin-2-ylacetamide is O=C(COc1ccc(Cl)cc1)Nc1ncccn1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-pyrimidin-2-ylacetamide?
The InChIKey is VYWAFVKMJMRWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c13-9-2-4-10(5-3-9)18-8-11(17)16-12-14-6-1-7-15-12/h1-7H,8H2,(H,14,15,16,17).
What are the key properties of 2-(4-chlorophenoxy)-N-pyrimidin-2-ylacetamide?
2-(4-chlorophenoxy)-N-pyrimidin-2-ylacetamide has a molecular weight of 263.68 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 686157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).