ethyl 2-[[3-(5-acetamido-2-chloro-4-fluorophenoxy)-2-pyridinyl]oxy]propanoate

C18H18ClFN2O5 — CID 18619250

IUPACethyl 2-[[3-(5-acetamido-2-chloro-4-fluorophenoxy)-2-pyridinyl]oxy]propanoate
SMILESCCOC(=O)C(C)Oc1ncccc1Oc1cc(NC(C)=O)c(F)cc1Cl
InChIInChI=1S/C18H18ClFN2O5/c1-4-25-18(24)10(2)26-17-15(6-5-7-21-17)27-16-9-14(22-11(3)23)13(20)8-12(16)19/h5-10H,4H2,1-3H3,(H,22,23)
InChIKeyROOUTFJKFOBOEO-UHFFFAOYSA-N
MW396.80 g/mol
LogP3.96
Rot. Bonds7

About ethyl 2-[[3-(5-acetamido-2-chloro-4-fluorophenoxy)-2-pyridinyl]oxy]propanoate

ethyl 2-[[3-(5-acetamido-2-chloro-4-fluorophenoxy)-2-pyridinyl]oxy]propanoate (PubChem CID 18619250) has the molecular formula C18H18ClFN2O5 and a molecular weight of 396.80 g/mol. Its IUPAC name is ethyl 2-[[3-(5-acetamido-2-chloro-4-fluorophenoxy)-2-pyridinyl]oxy]propanoate.

Molecular Properties

Compound Nameethyl 2-[[3-(5-acetamido-2-chloro-4-fluorophenoxy)-2-pyridinyl]oxy]propanoate
PubChem CID18619250
Molecular FormulaC18H18ClFN2O5
Molecular Weight396.80 g/mol
Exact Mass396.09
IUPAC Nameethyl 2-[[3-(5-acetamido-2-chloro-4-fluorophenoxy)-2-pyridinyl]oxy]propanoate
SMILESCCOC(=O)C(C)Oc1ncccc1Oc1cc(NC(C)=O)c(F)cc1Cl
InChIInChI=1S/C18H18ClFN2O5/c1-4-25-18(24)10(2)26-17-15(6-5-7-21-17)27-16-9-14(22-11(3)23)13(20)8-12(16)19/h5-10H,4H2,1-3H3,(H,22,23)
InChIKeyROOUTFJKFOBOEO-UHFFFAOYSA-N
XLogP3.96
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.80
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[3-(5-acetamido-2-chloro-4-fluorophenoxy)-2-pyridinyl]oxy]propanoate with MolForge

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Related Compounds

ethyl 2-[[3-[2-chloro-5-[[4-[4-chloro-5-[[2-(2-ethoxy-2-oxoethoxy)-3-pyridinyl]oxy]-2-fluoroanilino]-1,1,1-trifluoro-4-oxobut-2-en-2-yl]amino]-4-fluorophenoxy]-2-pyridinyl]oxy]acetate
CID 138725936
methyl 2-[[3-(2-chloro-4-fluoro-5-methylphenoxy)-2-pyridinyl]oxy]acetate
CID 138664444
N'-[4-chloro-2-fluoro-5-[(2-methyl-3-pyridinyl)oxy]phenyl]methanediamine
CID 163708784
N-[4-chloro-2-fluoro-5-(2-nitrophenoxy)phenyl]acetamide
CID 139944390
ethyl 2-[[3-[2-chloro-5-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-4-fluorophenoxy]-2-pyridinyl]oxy]acetate
CID 149136269
ethyl 3-[2-chloro-4-fluoro-5-[(2,4,4-trifluoro-3-oxobutanoyl)amino]phenoxy]-4-methoxypyridine-2-carboxylate
CID 175183863
ethyl (2S)-2-[(3-nitro-2-pyridinyl)oxy]propanoate
CID 40547203
ethyl 2-[[3-[2-chloro-4-fluoro-5-[4-(2-fluoropropan-2-yl)-3-methyl-2,6-dioxopyrimidin-1-yl]phenoxy]-2-pyridinyl]oxy]acetate
CID 167098302
ethyl 2-[[3-[2-chloro-5-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-4-fluorophenoxy]-2-pyridinyl]oxy]acetate;methane
CID 174637798
1-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-3-[(Z)-hex-2-en-3-yl]urea
CID 70421486
ethyl 2-(5-benzamido-2-chloro-4-fluorophenyl)sulfanylpropanoate
CID 139689614
ethyl 2-(2,6-dichlorophenoxy)propanoate
CID 13177850

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(5-acetamido-2-chloro-4-fluorophenoxy)-2-pyridinyl]oxy]propanoate?
The IUPAC name of ethyl 2-[[3-(5-acetamido-2-chloro-4-fluorophenoxy)-2-pyridinyl]oxy]propanoate (CID 18619250) is ethyl 2-[[3-(5-acetamido-2-chloro-4-fluorophenoxy)-2-pyridinyl]oxy]propanoate.
What is the SMILES notation for ethyl 2-[[3-(5-acetamido-2-chloro-4-fluorophenoxy)-2-pyridinyl]oxy]propanoate?
The canonical SMILES for ethyl 2-[[3-(5-acetamido-2-chloro-4-fluorophenoxy)-2-pyridinyl]oxy]propanoate is CCOC(=O)C(C)Oc1ncccc1Oc1cc(NC(C)=O)c(F)cc1Cl.
What is the InChIKey of ethyl 2-[[3-(5-acetamido-2-chloro-4-fluorophenoxy)-2-pyridinyl]oxy]propanoate?
The InChIKey is ROOUTFJKFOBOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O5/c1-4-25-18(24)10(2)26-17-15(6-5-7-21-17)27-16-9-14(22-11(3)23)13(20)8-12(16)19/h5-10H,4H2,1-3H3,(H,22,23).
What are the key properties of ethyl 2-[[3-(5-acetamido-2-chloro-4-fluorophenoxy)-2-pyridinyl]oxy]propanoate?
ethyl 2-[[3-(5-acetamido-2-chloro-4-fluorophenoxy)-2-pyridinyl]oxy]propanoate has a molecular weight of 396.80 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(5-acetamido-2-chloro-4-fluorophenoxy)-2-pyridinyl]oxy]propanoate is sourced from PubChem (CID 18619250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).