2-(2,4-dichlorophenoxy)-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide

C12H9Cl2N3O4 — CID 976864

IUPAC2-(2,4-dichlorophenoxy)-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H9Cl2N3O4/c13-6-1-2-9(7(14)3-6)21-5-10(18)16-8-4-15-12(20)17-11(8)19/h1-4H,5H2,(H,16,18)(H2,15,17,19,20)
InChIKeyXAFINUOJMORGSK-UHFFFAOYSA-N
MW330.13 g/mol
LogP1.39
Rot. Bonds4

About 2-(2,4-dichlorophenoxy)-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide

2-(2,4-dichlorophenoxy)-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 976864) has the molecular formula C12H9Cl2N3O4 and a molecular weight of 330.13 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
PubChem CID976864
Molecular FormulaC12H9Cl2N3O4
Molecular Weight330.13 g/mol
Exact Mass329.00
IUPAC Name2-(2,4-dichlorophenoxy)-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H9Cl2N3O4/c13-6-1-2-9(7(14)3-6)21-5-10(18)16-8-4-15-12(20)17-11(8)19/h1-4H,5H2,(H,16,18)(H2,15,17,19,20)
InChIKeyXAFINUOJMORGSK-UHFFFAOYSA-N
XLogP1.39
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.13
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
2-(2,4-dichlorophenoxy)-N-[2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]phenyl]acetamide
CID 2198238
5-chloro-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzamide
CID 122187999
potassium 2-(2,4-dichlorophenoxy)-N-oxidoacetamide
CID 23697377
2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]acetic acid
CID 166178801
2-(2,4-dichlorophenoxy)-N-[4-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 2827268
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828
2-(2,4-dichlorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 976414
1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide
CID 4513160
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-hydroxybenzoic acid
CID 108753972
2-(4-chloro-2-methylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 923084
2-(2-chloro-4-fluorophenoxy)-N-(2,5-difluorophenyl)acetamide
CID 30273064

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide (CID 976864) is 2-(2,4-dichlorophenoxy)-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide is O=C(COc1ccc(Cl)cc1Cl)Nc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is XAFINUOJMORGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O4/c13-6-1-2-9(7(14)3-6)21-5-10(18)16-8-4-15-12(20)17-11(8)19/h1-4H,5H2,(H,16,18)(H2,15,17,19,20).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
2-(2,4-dichlorophenoxy)-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 330.13 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 976864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).