1-(4-chlorophenyl)-2-(5-methylmorpholin-3-yl)ethanone

C13H16ClNO2 — CID 116685146

IUPAC1-(4-chlorophenyl)-2-(5-methylmorpholin-3-yl)ethanone
SMILESCC1COCC(CC(=O)c2ccc(Cl)cc2)N1
InChIInChI=1S/C13H16ClNO2/c1-9-7-17-8-12(15-9)6-13(16)10-2-4-11(14)5-3-10/h2-5,9,12,15H,6-8H2,1H3
InChIKeyQPNUZWOYAGSYOU-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.29
Rot. Bonds3

About 1-(4-chlorophenyl)-2-(5-methylmorpholin-3-yl)ethanone

1-(4-chlorophenyl)-2-(5-methylmorpholin-3-yl)ethanone (PubChem CID 116685146) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(5-methylmorpholin-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(5-methylmorpholin-3-yl)ethanone
PubChem CID116685146
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name1-(4-chlorophenyl)-2-(5-methylmorpholin-3-yl)ethanone
SMILESCC1COCC(CC(=O)c2ccc(Cl)cc2)N1
InChIInChI=1S/C13H16ClNO2/c1-9-7-17-8-12(15-9)6-13(16)10-2-4-11(14)5-3-10/h2-5,9,12,15H,6-8H2,1H3
InChIKeyQPNUZWOYAGSYOU-UHFFFAOYSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-difluorophenyl)-2-(5-methylmorpholin-3-yl)ethanone
CID 116685377
1-(3-fluorophenyl)-2-(5-methylmorpholin-3-yl)ethanone
CID 116685057
1-[2-(difluoromethoxy)phenyl]-2-(5-methylmorpholin-3-yl)ethanone
CID 116685700
1-(3-chloro-4-fluorophenyl)-2-(6-methylpiperidin-2-yl)ethanone
CID 116685194
3-(4-chlorophenyl)-5-methylmorpholine
CID 57226628
3-(4-chlorophenyl)-3-oxopropanal
CID 10442356
1-(4-chlorophenyl)-2-morpholin-2-ylethanone
CID 116586223
N,N-dimethyl-1-[(3S)-5-methylmorpholin-3-yl]methanamine
CID 171530788
cis-(1R,2S)-2-[2-(4-chlorophenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 24722531
2-[(3R)-morpholin-3-yl]-1-phenylethanone
CID 95396636
1-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione
CID 79506256
2-morpholin-3-yl-1-phenylethanone
CID 14753828

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(5-methylmorpholin-3-yl)ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(5-methylmorpholin-3-yl)ethanone (CID 116685146) is 1-(4-chlorophenyl)-2-(5-methylmorpholin-3-yl)ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(5-methylmorpholin-3-yl)ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(5-methylmorpholin-3-yl)ethanone is CC1COCC(CC(=O)c2ccc(Cl)cc2)N1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(5-methylmorpholin-3-yl)ethanone?
The InChIKey is QPNUZWOYAGSYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-9-7-17-8-12(15-9)6-13(16)10-2-4-11(14)5-3-10/h2-5,9,12,15H,6-8H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(5-methylmorpholin-3-yl)ethanone?
1-(4-chlorophenyl)-2-(5-methylmorpholin-3-yl)ethanone has a molecular weight of 253.73 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(5-methylmorpholin-3-yl)ethanone is sourced from PubChem (CID 116685146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).