2-(3-chlorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide

C14H14ClN3O3 — CID 121121501

IUPAC2-(3-chlorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide
SMILESO=C(COc1cccc(Cl)c1)NCCn1cnccc1=O
InChIInChI=1S/C14H14ClN3O3/c15-11-2-1-3-12(8-11)21-9-13(19)17-6-7-18-10-16-5-4-14(18)20/h1-5,8,10H,6-7,9H2,(H,17,19)
InChIKeyVHKQMXJTHJHKMI-UHFFFAOYSA-N
MW307.74 g/mol
LogP1.09
Rot. Bonds6

About 2-(3-chlorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide

2-(3-chlorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide (PubChem CID 121121501) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide
PubChem CID121121501
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Name2-(3-chlorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide
SMILESO=C(COc1cccc(Cl)c1)NCCn1cnccc1=O
InChIInChI=1S/C14H14ClN3O3/c15-11-2-1-3-12(8-11)21-9-13(19)17-6-7-18-10-16-5-4-14(18)20/h1-5,8,10H,6-7,9H2,(H,17,19)
InChIKeyVHKQMXJTHJHKMI-UHFFFAOYSA-N
XLogP1.09
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenoxy)-N-propylacetamide
CID 47001598
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(3-chlorophenoxy)acetamide
CID 115319643
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-pyridin-3-yloxyacetamide
CID 121119286
N-butyl-2-(3-chlorophenoxy)acetamide
CID 19168596
2-(3-chlorophenoxy)-N-hexylacetamide
CID 19168602
2-(3-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90515868
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(3-methoxyphenoxy)acetamide
CID 121106664
1-(4-chlorophenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea
CID 121121634
2-(3-fluorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121121481
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938
2-(3-chlorophenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]propanamide
CID 90515636
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(3-methylphenoxy)acetamide
CID 90515885

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide (CID 121121501) is 2-(3-chlorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide is O=C(COc1cccc(Cl)c1)NCCn1cnccc1=O.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide?
The InChIKey is VHKQMXJTHJHKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c15-11-2-1-3-12(8-11)21-9-13(19)17-6-7-18-10-16-5-4-14(18)20/h1-5,8,10H,6-7,9H2,(H,17,19).
What are the key properties of 2-(3-chlorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide?
2-(3-chlorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide has a molecular weight of 307.74 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 121121501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).