3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione

C13H11ClFNO4 — CID 14695619

IUPAC3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione
SMILESCOc1cc(N2C(=O)OC(=C(C)C)C2=O)c(F)cc1Cl
InChIInChI=1S/C13H11ClFNO4/c1-6(2)11-12(17)16(13(18)20-11)9-5-10(19-3)7(14)4-8(9)15/h4-5H,1-3H3
InChIKeyYXRVAGYMYSAHEV-UHFFFAOYSA-N
MW299.69 g/mol
LogP3.26
Rot. Bonds2

About 3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione

3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione (PubChem CID 14695619) has the molecular formula C13H11ClFNO4 and a molecular weight of 299.69 g/mol. Its IUPAC name is 3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione
PubChem CID14695619
Molecular FormulaC13H11ClFNO4
Molecular Weight299.69 g/mol
Exact Mass299.04
IUPAC Name3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione
SMILESCOc1cc(N2C(=O)OC(=C(C)C)C2=O)c(F)cc1Cl
InChIInChI=1S/C13H11ClFNO4/c1-6(2)11-12(17)16(13(18)20-11)9-5-10(19-3)7(14)4-8(9)15/h4-5H,1-3H3
InChIKeyYXRVAGYMYSAHEV-UHFFFAOYSA-N
XLogP3.26
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.69
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[4-chloro-2-fluoro-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione
CID 18364642
3-[4-chloro-2-fluoro-5-[(3-nitro-2-pyridinyl)oxy]phenyl]-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione
CID 18364639
3-(2,4-dichloro-5-propan-2-yloxyphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione
CID 14695564
1-(4-chloro-2-fluoro-5-methoxyphenyl)-3-propan-2-ylidenepyrrolidine-2,5-dione
CID 22160197
3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione;methyl N-(4-aminophenyl)sulfonylcarbamate
CID 70137822
3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione;3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4-dione
CID 70136315
3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione;1,2-dimethyl-3,5-diphenylpyrazol-2-ium
CID 70137371
3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione;3-methoxy-4-methyl-5-oxo-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,2,4-triazole-1-carboxamide
CID 70138224
2-(4-chloro-2-fluoro-5-methoxyphenyl)-5,7,8,8a-tetrahydroimidazo[1,5-c][1,3]thiazine-1,3-dione
CID 14255157
3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione;2-[2-chloro-4-fluoro-5-[(3-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]sulfanylacetic acid
CID 70135961
3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
CID 70138236
2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione;2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide
CID 70135942

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione (CID 14695619) is 3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione is COc1cc(N2C(=O)OC(=C(C)C)C2=O)c(F)cc1Cl.
What is the InChIKey of 3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione?
The InChIKey is YXRVAGYMYSAHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO4/c1-6(2)11-12(17)16(13(18)20-11)9-5-10(19-3)7(14)4-8(9)15/h4-5H,1-3H3.
What are the key properties of 3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione?
3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione has a molecular weight of 299.69 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 14695619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).