2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]but-1-en-2-yl]acetamide

C22H21Cl2FN2O4 — CID 155260817

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]but-1-en-2-yl]acetamide
SMILESC=C(CCN1CC(c2ccc(Cl)cc2)COC1=O)NC(=O)COc1ccc(Cl)c(F)c1
InChIInChI=1S/C22H21Cl2FN2O4/c1-14(26-21(28)13-30-18-6-7-19(24)20(25)10-18)8-9-27-11-16(12-31-22(27)29)15-2-4-17(23)5-3-15/h2-7,10,16H,1,8-9,11-13H2,(H,26,28)
InChIKeyDAGXEUSGPGPHHY-UHFFFAOYSA-N
MW467.32 g/mol
LogP4.77
Rot. Bonds8

About 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]but-1-en-2-yl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]but-1-en-2-yl]acetamide (PubChem CID 155260817) has the molecular formula C22H21Cl2FN2O4 and a molecular weight of 467.32 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]but-1-en-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]but-1-en-2-yl]acetamide
PubChem CID155260817
Molecular FormulaC22H21Cl2FN2O4
Molecular Weight467.32 g/mol
Exact Mass466.09
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]but-1-en-2-yl]acetamide
SMILESC=C(CCN1CC(c2ccc(Cl)cc2)COC1=O)NC(=O)COc1ccc(Cl)c(F)c1
InChIInChI=1S/C22H21Cl2FN2O4/c1-14(26-21(28)13-30-18-6-7-19(24)20(25)10-18)8-9-27-11-16(12-31-22(27)29)15-2-4-17(23)5-3-15/h2-7,10,16H,1,8-9,11-13H2,(H,26,28)
InChIKeyDAGXEUSGPGPHHY-UHFFFAOYSA-N
XLogP4.77
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.32
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxybutyl]acetamide
CID 155260961
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-[(1S)-1-(4-chlorophenyl)ethyl]pent-4-enamide
CID 166896148
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
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
5-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 166853503
6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-4-(2-fluorocyclopropanecarbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 155717007
6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-4-(2-methylsulfanylethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 155717118
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]but-1-en-2-yl]acetamide?
The IUPAC name of 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) is 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]but-1-en-2-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]but-1-en-2-yl]acetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]but-1-en-2-yl]acetamide is C=C(CCN1CC(c2ccc(Cl)cc2)COC1=O)NC(=O)COc1ccc(Cl)c(F)c1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]but-1-en-2-yl]acetamide?
The InChIKey is DAGXEUSGPGPHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2FN2O4/c1-14(26-21(28)13-30-18-6-7-19(24)20(25)10-18)8-9-27-11-16(12-31-22(27)29)15-2-4-17(23)5-3-15/h2-7,10,16H,1,8-9,11-13H2,(H,26,28).
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]but-1-en-2-yl]acetamide?
2-(4-chloro-3-fluorophenoxy)-N-[4-[5-(4-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]but-1-en-2-yl]acetamide has a molecular weight of 467.32 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 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-oxazinan-3-yl]but-1-en-2-yl]acetamide is sourced from PubChem (CID 155260817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).