[2-(2-chlorophenyl)-2-oxoethyl] 4-[[2-(4-methyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate

C22H21ClN2O6 — CID 22781755

IUPAC[2-(2-chlorophenyl)-2-oxoethyl] 4-[[2-(4-methyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate
SMILESCN1CCOC(CC(=O)Nc2ccc(C(=O)OCC(=O)c3ccccc3Cl)cc2)C1=O
InChIInChI=1S/C22H21ClN2O6/c1-25-10-11-30-19(21(25)28)12-20(27)24-15-8-6-14(7-9-15)22(29)31-13-18(26)16-4-2-3-5-17(16)23/h2-9,19H,10-13H2,1H3,(H,24,27)
InChIKeyCUTNEEBMMJYFMO-UHFFFAOYSA-N
MW444.87 g/mol
LogP2.57
Rot. Bonds7

About [2-(2-chlorophenyl)-2-oxoethyl] 4-[[2-(4-methyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate

[2-(2-chlorophenyl)-2-oxoethyl] 4-[[2-(4-methyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate (PubChem CID 22781755) has the molecular formula C22H21ClN2O6 and a molecular weight of 444.87 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-2-oxoethyl] 4-[[2-(4-methyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-2-oxoethyl] 4-[[2-(4-methyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate
PubChem CID22781755
Molecular FormulaC22H21ClN2O6
Molecular Weight444.87 g/mol
Exact Mass444.11
IUPAC Name[2-(2-chlorophenyl)-2-oxoethyl] 4-[[2-(4-methyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate
SMILESCN1CCOC(CC(=O)Nc2ccc(C(=O)OCC(=O)c3ccccc3Cl)cc2)C1=O
InChIInChI=1S/C22H21ClN2O6/c1-25-10-11-30-19(21(25)28)12-20(27)24-15-8-6-14(7-9-15)22(29)31-13-18(26)16-4-2-3-5-17(16)23/h2-9,19H,10-13H2,1H3,(H,24,27)
InChIKeyCUTNEEBMMJYFMO-UHFFFAOYSA-N
XLogP2.57
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.87
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2-chlorophenyl)-2-oxoethyl] 4-[[2-(4-methyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

[2-(2-chlorophenyl)-2-oxoethyl] 4-[[2-(3-oxo-4-propylmorpholin-2-yl)acetyl]amino]benzoate
CID 23096997
[2-(2-methoxyphenyl)-2-oxoethyl] 4-[[2-(4-methyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate
CID 22781209
phenacyl 4-[[2-(4-ethyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate
CID 22778078
[2-(2-methoxyphenyl)-2-oxoethyl] 4-[[2-[3-oxo-4-(thiophen-2-ylmethyl)morpholin-2-yl]acetyl]amino]benzoate
CID 21167618
[2-oxo-2-(4-phenylphenyl)ethyl] 4-[[2-(4-benzyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate
CID 21170255
[2-(4-fluorophenyl)-2-oxoethyl] 4-[[2-[3-oxo-4-(thiophen-2-ylmethyl)morpholin-2-yl]acetyl]amino]benzoate
CID 23101022
[2-(2-chlorophenyl)-2-oxoethyl] 4-[2,5-dioxo-3-(prop-2-enylamino)pyrrolidin-1-yl]benzoate
CID 22778553
dimethyl 5-[[2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 41000175
2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]-N-(4-fluorophenyl)acetamide
CID 941057
(2-naphthalen-1-yl-2-oxoethyl) 4-(propanoylamino)benzoate
CID 1218309
methyl 4-[[2-[4-[(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)methyl]-3-oxomorpholin-2-yl]acetyl]amino]benzoate
CID 53277602
[2-(2-chlorophenyl)-2-oxoethyl] 4-[3-[(4-methylphenyl)methylamino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23099131

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-2-oxoethyl] 4-[[2-(4-methyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate?
The IUPAC name of [2-(2-chlorophenyl)-2-oxoethyl] 4-[[2-(4-methyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate (CID 22781755) is [2-(2-chlorophenyl)-2-oxoethyl] 4-[[2-(4-methyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate.
What is the SMILES notation for [2-(2-chlorophenyl)-2-oxoethyl] 4-[[2-(4-methyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate?
The canonical SMILES for [2-(2-chlorophenyl)-2-oxoethyl] 4-[[2-(4-methyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate is CN1CCOC(CC(=O)Nc2ccc(C(=O)OCC(=O)c3ccccc3Cl)cc2)C1=O.
What is the InChIKey of [2-(2-chlorophenyl)-2-oxoethyl] 4-[[2-(4-methyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate?
The InChIKey is CUTNEEBMMJYFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O6/c1-25-10-11-30-19(21(25)28)12-20(27)24-15-8-6-14(7-9-15)22(29)31-13-18(26)16-4-2-3-5-17(16)23/h2-9,19H,10-13H2,1H3,(H,24,27).
What are the key properties of [2-(2-chlorophenyl)-2-oxoethyl] 4-[[2-(4-methyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate?
[2-(2-chlorophenyl)-2-oxoethyl] 4-[[2-(4-methyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate has a molecular weight of 444.87 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-2-oxoethyl] 4-[[2-(4-methyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate is sourced from PubChem (CID 22781755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).