2-(2-chloro-6-fluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]ethanone

C16H22ClFN2O2 — CID 45212741

IUPAC2-(2-chloro-6-fluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]ethanone
SMILESCN(C)CCC1CN(C(=O)Cc2c(F)cccc2Cl)CCO1
InChIInChI=1S/C16H22ClFN2O2/c1-19(2)7-6-12-11-20(8-9-22-12)16(21)10-13-14(17)4-3-5-15(13)18/h3-5,12H,6-11H2,1-2H3
InChIKeyNQABBCRFVKTTSE-UHFFFAOYSA-N
MW328.81 g/mol
LogP2.20
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]ethanone

2-(2-chloro-6-fluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]ethanone (PubChem CID 45212741) has the molecular formula C16H22ClFN2O2 and a molecular weight of 328.81 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]ethanone
PubChem CID45212741
Molecular FormulaC16H22ClFN2O2
Molecular Weight328.81 g/mol
Exact Mass328.14
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]ethanone
SMILESCN(C)CCC1CN(C(=O)Cc2c(F)cccc2Cl)CCO1
InChIInChI=1S/C16H22ClFN2O2/c1-19(2)7-6-12-11-20(8-9-22-12)16(21)10-13-14(17)4-3-5-15(13)18/h3-5,12H,6-11H2,1-2H3
InChIKeyNQABBCRFVKTTSE-UHFFFAOYSA-N
XLogP2.20
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.81
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]ethanone (CID 45212741) is 2-(2-chloro-6-fluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]ethanone is CN(C)CCC1CN(C(=O)Cc2c(F)cccc2Cl)CCO1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]ethanone?
The InChIKey is NQABBCRFVKTTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O2/c1-19(2)7-6-12-11-20(8-9-22-12)16(21)10-13-14(17)4-3-5-15(13)18/h3-5,12H,6-11H2,1-2H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]ethanone?
2-(2-chloro-6-fluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]ethanone has a molecular weight of 328.81 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 45212741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).