2-[2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl benzoate

C19H17Cl2NO4 — CID 18677172

IUPAC2-[2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl benzoate
SMILESO=C1COC(CCOC(=O)c2ccccc2)(c2ccc(Cl)c(Cl)c2)CN1
InChIInChI=1S/C19H17Cl2NO4/c20-15-7-6-14(10-16(15)21)19(12-22-17(23)11-26-19)8-9-25-18(24)13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,22,23)
InChIKeyYIXCFZXYRRJZMU-UHFFFAOYSA-N
MW394.25 g/mol
LogP3.58
Rot. Bonds5

About 2-[2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl benzoate

2-[2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl benzoate (PubChem CID 18677172) has the molecular formula C19H17Cl2NO4 and a molecular weight of 394.25 g/mol. Its IUPAC name is 2-[2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl benzoate.

Molecular Properties

Compound Name2-[2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl benzoate
PubChem CID18677172
Molecular FormulaC19H17Cl2NO4
Molecular Weight394.25 g/mol
Exact Mass393.05
IUPAC Name2-[2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl benzoate
SMILESO=C1COC(CCOC(=O)c2ccccc2)(c2ccc(Cl)c(Cl)c2)CN1
InChIInChI=1S/C19H17Cl2NO4/c20-15-7-6-14(10-16(15)21)19(12-22-17(23)11-26-19)8-9-25-18(24)13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,22,23)
InChIKeyYIXCFZXYRRJZMU-UHFFFAOYSA-N
XLogP3.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.25
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3,4-dichlorophenyl)-2-oxopiperidin-3-yl]ethyl benzoate
CID 57276335
2-benzoyloxyethyl benzoate;ethene
CID 67969171
[4-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate
CID 102224412
3-oxobutyl benzoate
CID 10899468
2-phenylethyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 3728094
2-phenylethyl (4S)-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 1038031
3-benzoyloxypropanoic acid
CID 21263483
2-(4-benzoylbenzoyl)oxyethyl 4-benzoylbenzoate
CID 20532950
4-O-[2-[2-[4-[2-(2-benzoyloxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-benzoyloxyethoxy)ethyl] benzene-1,4-dicarboxylate
CID 140775002
[(2R)-2-(bromomethyl)-2-(4-chlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate
CID 143933599
[(4S)-2-(bromomethyl)-2-(4-chlorophenyl)-1,3-dioxolan-4-yl]methyl benzoate
CID 67001670
2-[(4R)-4-methyl-2-oxo-3H-chromen-4-yl]ethyl benzoate
CID 146167142

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl benzoate?
The IUPAC name of 2-[2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl benzoate (CID 18677172) is 2-[2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl benzoate.
What is the SMILES notation for 2-[2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl benzoate?
The canonical SMILES for 2-[2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl benzoate is O=C1COC(CCOC(=O)c2ccccc2)(c2ccc(Cl)c(Cl)c2)CN1.
What is the InChIKey of 2-[2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl benzoate?
The InChIKey is YIXCFZXYRRJZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO4/c20-15-7-6-14(10-16(15)21)19(12-22-17(23)11-26-19)8-9-25-18(24)13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,22,23).
What are the key properties of 2-[2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl benzoate?
2-[2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl benzoate has a molecular weight of 394.25 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl benzoate is sourced from PubChem (CID 18677172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).