2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-fluorophenyl)-2,4-dioxo-1,3-oxazolidin-3-yl]but-1-en-2-yl]acetamide

C21H17ClF2N2O5 — CID 155260717

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-fluorophenyl)-2,4-dioxo-1,3-oxazolidin-3-yl]but-1-en-2-yl]acetamide
SMILESC=C(CCN1C(=O)OC(c2ccc(F)cc2)C1=O)NC(=O)COc1ccc(Cl)c(F)c1
InChIInChI=1S/C21H17ClF2N2O5/c1-12(25-18(27)11-30-15-6-7-16(22)17(24)10-15)8-9-26-20(28)19(31-21(26)29)13-2-4-14(23)5-3-13/h2-7,10,19H,1,8-9,11H2,(H,25,27)
InChIKeyGRQGKYFTRDIHNN-UHFFFAOYSA-N
MW450.83 g/mol
LogP3.74
Rot. Bonds8

About 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-fluorophenyl)-2,4-dioxo-1,3-oxazolidin-3-yl]but-1-en-2-yl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-fluorophenyl)-2,4-dioxo-1,3-oxazolidin-3-yl]but-1-en-2-yl]acetamide (PubChem CID 155260717) has the molecular formula C21H17ClF2N2O5 and a molecular weight of 450.83 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-fluorophenyl)-2,4-dioxo-1,3-oxazolidin-3-yl]but-1-en-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-fluorophenyl)-2,4-dioxo-1,3-oxazolidin-3-yl]but-1-en-2-yl]acetamide
PubChem CID155260717
Molecular FormulaC21H17ClF2N2O5
Molecular Weight450.83 g/mol
Exact Mass450.08
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-fluorophenyl)-2,4-dioxo-1,3-oxazolidin-3-yl]but-1-en-2-yl]acetamide
SMILESC=C(CCN1C(=O)OC(c2ccc(F)cc2)C1=O)NC(=O)COc1ccc(Cl)c(F)c1
InChIInChI=1S/C21H17ClF2N2O5/c1-12(25-18(27)11-30-15-6-7-16(22)17(24)10-15)8-9-26-20(28)19(31-21(26)29)13-2-4-14(23)5-3-13/h2-7,10,19H,1,8-9,11H2,(H,25,27)
InChIKeyGRQGKYFTRDIHNN-UHFFFAOYSA-N
XLogP3.74
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.83
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[4-(1,3,4-oxadiazol-2-yl)but-1-en-2-yl]acetamide
CID 142528068
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-3-(4-chloro-6-oxopyridazin-1-yl)propanamide
CID 155303079
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]pent-4-enamide
CID 166896148
4-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-3-fluorobenzamide
CID 155264716
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-2-phenylacetamide
CID 138632411
2-(4-chloro-3-fluorophenoxy)-N-ethenylacetamide
CID 155716981
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pent-4-enamide
CID 166896083
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethoxyphenyl)methyl]pent-4-enamide
CID 166896066
2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(1R,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide
CID 167268092
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,6-dimethyl-3-pyridinyl)methyl]pent-4-enamide
CID 166896238
5-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 166853503

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-fluorophenyl)-2,4-dioxo-1,3-oxazolidin-3-yl]but-1-en-2-yl]acetamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-fluorophenyl)-2,4-dioxo-1,3-oxazolidin-3-yl]but-1-en-2-yl]acetamide (CID 155260717) is 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-fluorophenyl)-2,4-dioxo-1,3-oxazolidin-3-yl]but-1-en-2-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-fluorophenyl)-2,4-dioxo-1,3-oxazolidin-3-yl]but-1-en-2-yl]acetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-fluorophenyl)-2,4-dioxo-1,3-oxazolidin-3-yl]but-1-en-2-yl]acetamide is C=C(CCN1C(=O)OC(c2ccc(F)cc2)C1=O)NC(=O)COc1ccc(Cl)c(F)c1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-fluorophenyl)-2,4-dioxo-1,3-oxazolidin-3-yl]but-1-en-2-yl]acetamide?
The InChIKey is GRQGKYFTRDIHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF2N2O5/c1-12(25-18(27)11-30-15-6-7-16(22)17(24)10-15)8-9-26-20(28)19(31-21(26)29)13-2-4-14(23)5-3-13/h2-7,10,19H,1,8-9,11H2,(H,25,27).
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-fluorophenyl)-2,4-dioxo-1,3-oxazolidin-3-yl]but-1-en-2-yl]acetamide?
2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-fluorophenyl)-2,4-dioxo-1,3-oxazolidin-3-yl]but-1-en-2-yl]acetamide has a molecular weight of 450.83 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 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-fluorophenyl)-2,4-dioxo-1,3-oxazolidin-3-yl]but-1-en-2-yl]acetamide is sourced from PubChem (CID 155260717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).