2-(2,4-dichlorophenoxy)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]acetamide

C16H17Cl2N3O4 — CID 654040

IUPAC2-(2,4-dichlorophenoxy)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]acetamide
SMILESCOc1cc(C)nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C16H17Cl2N3O4/c1-10-7-15(23-2)21-16(20-10)24-6-5-19-14(22)9-25-13-4-3-11(17)8-12(13)18/h3-4,7-8H,5-6,9H2,1-2H3,(H,19,22)
InChIKeyNIGBUPIUEUIDBO-UHFFFAOYSA-N
MW386.24 g/mol
LogP2.67
Rot. Bonds8

About 2-(2,4-dichlorophenoxy)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]acetamide

2-(2,4-dichlorophenoxy)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]acetamide (PubChem CID 654040) has the molecular formula C16H17Cl2N3O4 and a molecular weight of 386.24 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]acetamide
PubChem CID654040
Molecular FormulaC16H17Cl2N3O4
Molecular Weight386.24 g/mol
Exact Mass385.06
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]acetamide
SMILESCOc1cc(C)nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C16H17Cl2N3O4/c1-10-7-15(23-2)21-16(20-10)24-6-5-19-14(22)9-25-13-4-3-11(17)8-12(13)18/h3-4,7-8H,5-6,9H2,1-2H3,(H,19,22)
InChIKeyNIGBUPIUEUIDBO-UHFFFAOYSA-N
XLogP2.67
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-{2-[(4-methoxy-6-methylpyrimidin-2-yl)oxy]ethyl}acetamide
CID 646972
4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 1483213
4-(2,4-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 1483227
2-(4-chlorophenoxy)-N-(4-methylpyrimidin-2-yl)acetamide
CID 1094212
2-(2,4-dichlorophenoxy)-N-[(4,6-dimethoxypyrimidin-2-yl)carbamothioyl]acetamide
CID 16078346
2-(2,4-dichlorophenoxy)-N-(pyrimidin-2-yl)propanamide
CID 2862668
N-[4-(2,4-dichlorophenoxy)-6-(trifluoromethyl)-2-pyrimidinyl]-N-isopropylamine
CID 1483262
2-(3,5-dichlorophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 3849156
2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylacetamide
CID 819240
US10150728, Example I-429
CID 122497825
2-[4-(2,4-Dichlorophenoxy)-6-methylpyrimidin-2-yl]oxyacetonitrile
CID 1627975
2-(4-Chlorophenoxy)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 17537485

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]acetamide (CID 654040) is 2-(2,4-dichlorophenoxy)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]acetamide is COc1cc(C)nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]acetamide?
The InChIKey is NIGBUPIUEUIDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O4/c1-10-7-15(23-2)21-16(20-10)24-6-5-19-14(22)9-25-13-4-3-11(17)8-12(13)18/h3-4,7-8H,5-6,9H2,1-2H3,(H,19,22).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]acetamide has a molecular weight of 386.24 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]acetamide is sourced from PubChem (CID 654040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).