2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxybutyl]acetamide

C21H21Cl2FN2O5 — CID 155260961

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxybutyl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NCC(O)CCN1CC(c2ccc(Cl)cc2)OC1=O
InChIInChI=1S/C21H21Cl2FN2O5/c22-14-3-1-13(2-4-14)19-11-26(21(29)31-19)8-7-15(27)10-25-20(28)12-30-16-5-6-17(23)18(24)9-16/h1-6,9,15,19,27H,7-8,10-12H2,(H,25,28)
InChIKeyCEMUYTRGYHLYQJ-UHFFFAOYSA-N
MW471.31 g/mol
LogP3.57
Rot. Bonds9

About 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxybutyl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxybutyl]acetamide (PubChem CID 155260961) has the molecular formula C21H21Cl2FN2O5 and a molecular weight of 471.31 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxybutyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxybutyl]acetamide
PubChem CID155260961
Molecular FormulaC21H21Cl2FN2O5
Molecular Weight471.31 g/mol
Exact Mass470.08
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxybutyl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NCC(O)CCN1CC(c2ccc(Cl)cc2)OC1=O
InChIInChI=1S/C21H21Cl2FN2O5/c22-14-3-1-13(2-4-14)19-11-26(21(29)31-19)8-7-15(27)10-25-20(28)12-30-16-5-6-17(23)18(24)9-16/h1-6,9,15,19,27H,7-8,10-12H2,(H,25,28)
InChIKeyCEMUYTRGYHLYQJ-UHFFFAOYSA-N
XLogP3.57
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.31
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-3-fluorophenoxy)-N-[(3S)-4-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide
CID 155302933
2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]but-1-en-2-yl]acetamide
CID 155260817
2-(4-chloro-3-fluorophenoxy)-N-[(3S)-4-[[2-[4-fluoro-3-(trifluoromethyl)phenoxy]acetyl]amino]-3-hydroxybutyl]acetamide
CID 155303042
N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-2-[4-(difluoromethyl)phenoxy]acetamide
CID 138632447
2-(4-chloro-3-fluorophenoxy)-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-fluorobutyl]acetamide
CID 138632382
N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxybutyl]-2-(4-chloro-N-methylanilino)acetamide
CID 155303138
(2R)-2-[[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]amino]-4-(4-chlorophenoxy)butanoic acid
CID 155303446
N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-2-(5-fluoro-2-oxopyrimidin-1-yl)acetamide
CID 155303096
2-(4-chloro-3-fluorophenoxy)-N-[4-[2-(4-chlorophenoxy)ethylamino]-3-hydroxybutyl]acetamide
CID 138632361
2-(3,4-difluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide
CID 138632756
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-5-(trifluoromethyl)furan-3-carboxamide
CID 155265120
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-3-ethyl-1,2-oxazole-5-carboxamide
CID 155264683

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxybutyl]acetamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxybutyl]acetamide (CID 155260961) is 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxybutyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxybutyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxybutyl]acetamide is O=C(COc1ccc(Cl)c(F)c1)NCC(O)CCN1CC(c2ccc(Cl)cc2)OC1=O.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxybutyl]acetamide?
The InChIKey is CEMUYTRGYHLYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2FN2O5/c22-14-3-1-13(2-4-14)19-11-26(21(29)31-19)8-7-15(27)10-25-20(28)12-30-16-5-6-17(23)18(24)9-16/h1-6,9,15,19,27H,7-8,10-12H2,(H,25,28).
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxybutyl]acetamide?
2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxybutyl]acetamide has a molecular weight of 471.31 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxybutyl]acetamide is sourced from PubChem (CID 155260961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).