2-(4-chlorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone

C15H20ClNO2 — CID 79664016

IUPAC2-(4-chlorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
SMILESCC(C)N1CCOC(C(=O)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H20ClNO2/c1-11(2)17-7-8-19-15(10-17)14(18)9-12-3-5-13(16)6-4-12/h3-6,11,15H,7-10H2,1-2H3
InChIKeyGDEJHENHBIVVIU-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.56
Rot. Bonds4

About 2-(4-chlorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone

2-(4-chlorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone (PubChem CID 79664016) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
PubChem CID79664016
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name2-(4-chlorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
SMILESCC(C)N1CCOC(C(=O)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H20ClNO2/c1-11(2)17-7-8-19-15(10-17)14(18)9-12-3-5-13(16)6-4-12/h3-6,11,15H,7-10H2,1-2H3
InChIKeyGDEJHENHBIVVIU-UHFFFAOYSA-N
XLogP2.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-methylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 106867043
2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79657371
2-(5-bromothiophen-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79657983
2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 113454527
3-phenyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-one
CID 79664689
2-(4-bromothiophen-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79657291
2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79826140
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79657756
2-(4-bromophenyl)-1-(4-methylmorpholin-2-yl)ethanone
CID 79078303
2-(4-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanone
CID 79077203
2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79665135
2-(3,4-dichlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79669702

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone (CID 79664016) is 2-(4-chlorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone is CC(C)N1CCOC(C(=O)Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone?
The InChIKey is GDEJHENHBIVVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-11(2)17-7-8-19-15(10-17)14(18)9-12-3-5-13(16)6-4-12/h3-6,11,15H,7-10H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone?
2-(4-chlorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone has a molecular weight of 281.78 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone is sourced from PubChem (CID 79664016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).