2-(3-chlorophenyl)-1-(4-methylmorpholin-2-yl)ethanone

C13H16ClNO2 — CID 79077716

IUPAC2-(3-chlorophenyl)-1-(4-methylmorpholin-2-yl)ethanone
SMILESCN1CCOC(C(=O)Cc2cccc(Cl)c2)C1
InChIInChI=1S/C13H16ClNO2/c1-15-5-6-17-13(9-15)12(16)8-10-3-2-4-11(14)7-10/h2-4,7,13H,5-6,8-9H2,1H3
InChIKeyJZUHTSXGNVQRTB-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.78
Rot. Bonds3

About 2-(3-chlorophenyl)-1-(4-methylmorpholin-2-yl)ethanone

2-(3-chlorophenyl)-1-(4-methylmorpholin-2-yl)ethanone (PubChem CID 79077716) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(4-methylmorpholin-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(4-methylmorpholin-2-yl)ethanone
PubChem CID79077716
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-(3-chlorophenyl)-1-(4-methylmorpholin-2-yl)ethanone
SMILESCN1CCOC(C(=O)Cc2cccc(Cl)c2)C1
InChIInChI=1S/C13H16ClNO2/c1-15-5-6-17-13(9-15)12(16)8-10-3-2-4-11(14)7-10/h2-4,7,13H,5-6,8-9H2,1H3
InChIKeyJZUHTSXGNVQRTB-UHFFFAOYSA-N
XLogP1.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79668783
2-(3-chlorophenyl)-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 110710564
2-(3-chlorophenyl)-N-[3-(4-methylmorpholin-2-yl)phenyl]acetamide
CID 110720459
2-(4-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanone
CID 79077203
1-(4-methylmorpholin-2-yl)-2-thiophen-3-ylethanone
CID 79078299
2-(3-chlorophenyl)-1-morpholin-2-ylethanone
CID 116561676
2-(3-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79669537
1-(4-methylmorpholin-2-yl)-3-phenylpropan-1-one
CID 79077304
2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79657371
2-(3,4-dichlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79669702
2-(4-chlorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79664016
2-(3-chlorophenyl)-1-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]ethanone
CID 97061949

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(4-methylmorpholin-2-yl)ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-(4-methylmorpholin-2-yl)ethanone (CID 79077716) is 2-(3-chlorophenyl)-1-(4-methylmorpholin-2-yl)ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(4-methylmorpholin-2-yl)ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-(4-methylmorpholin-2-yl)ethanone is CN1CCOC(C(=O)Cc2cccc(Cl)c2)C1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(4-methylmorpholin-2-yl)ethanone?
The InChIKey is JZUHTSXGNVQRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-15-5-6-17-13(9-15)12(16)8-10-3-2-4-11(14)7-10/h2-4,7,13H,5-6,8-9H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-(4-methylmorpholin-2-yl)ethanone?
2-(3-chlorophenyl)-1-(4-methylmorpholin-2-yl)ethanone has a molecular weight of 253.73 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(4-methylmorpholin-2-yl)ethanone is sourced from PubChem (CID 79077716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).