2-(2,4-dichlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide

C17H19Cl2N3O3 — CID 121119555

IUPAC2-(2,4-dichlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
SMILESCCc1cc(=O)n(CCNC(=O)C(C)Oc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C17H19Cl2N3O3/c1-3-13-9-16(23)22(10-21-13)7-6-20-17(24)11(2)25-15-5-4-12(18)8-14(15)19/h4-5,8-11H,3,6-7H2,1-2H3,(H,20,24)
InChIKeyWCKCTNRKGFEDLA-UHFFFAOYSA-N
MW384.26 g/mol
LogP2.70
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide

2-(2,4-dichlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide (PubChem CID 121119555) has the molecular formula C17H19Cl2N3O3 and a molecular weight of 384.26 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
PubChem CID121119555
Molecular FormulaC17H19Cl2N3O3
Molecular Weight384.26 g/mol
Exact Mass383.08
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
SMILESCCc1cc(=O)n(CCNC(=O)C(C)Oc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C17H19Cl2N3O3/c1-3-13-9-16(23)22(10-21-13)7-6-20-17(24)11(2)25-15-5-4-12(18)8-14(15)19/h4-5,8-11H,3,6-7H2,1-2H3,(H,20,24)
InChIKeyWCKCTNRKGFEDLA-UHFFFAOYSA-N
XLogP2.70
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121119643
(2S)-2-(2-chlorophenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]propanamide
CID 95369177
2-(2,4-dichlorophenoxy)-N-nonylpropanamide
CID 4130170
2-(2,4-dichlorophenoxy)-N-dodecylpropanamide
CID 4582803
2-(2-fluorophenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121119210
2-(3-chlorophenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]propanamide
CID 90515636
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-methylbutyl]propanamide
CID 2291416
3-[2-(2,4-dichlorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 66165822
4-[2-(2,4-dichlorophenoxy)propanoylamino]butanoic acid
CID 43239301
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxypropyl]propanamide
CID 39950205
2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121119506
2-(2,4-dichlorophenoxy)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide
CID 60559289

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide (CID 121119555) is 2-(2,4-dichlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide is CCc1cc(=O)n(CCNC(=O)C(C)Oc2ccc(Cl)cc2Cl)cn1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide?
The InChIKey is WCKCTNRKGFEDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O3/c1-3-13-9-16(23)22(10-21-13)7-6-20-17(24)11(2)25-15-5-4-12(18)8-14(15)19/h4-5,8-11H,3,6-7H2,1-2H3,(H,20,24).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide?
2-(2,4-dichlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide has a molecular weight of 384.26 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 121119555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).