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

C16H22ClFN2O2 — CID 45179410

IUPAC2-(2-chloro-4-fluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]ethanone
SMILESCN(C)CCC1CN(C(=O)Cc2ccc(F)cc2Cl)CCO1
InChIInChI=1S/C16H22ClFN2O2/c1-19(2)6-5-14-11-20(7-8-22-14)16(21)9-12-3-4-13(18)10-15(12)17/h3-4,10,14H,5-9,11H2,1-2H3
InChIKeyGKTCEOAWNUUORD-UHFFFAOYSA-N
MW328.81 g/mol
LogP2.20
Rot. Bonds5

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

2-(2-chloro-4-fluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]ethanone (PubChem CID 45179410) has the molecular formula C16H22ClFN2O2 and a molecular weight of 328.81 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]ethanone
PubChem CID45179410
Molecular FormulaC16H22ClFN2O2
Molecular Weight328.81 g/mol
Exact Mass328.14
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]ethanone
SMILESCN(C)CCC1CN(C(=O)Cc2ccc(F)cc2Cl)CCO1
InChIInChI=1S/C16H22ClFN2O2/c1-19(2)6-5-14-11-20(7-8-22-14)16(21)9-12-3-4-13(18)10-15(12)17/h3-4,10,14H,5-9,11H2,1-2H3
InChIKeyGKTCEOAWNUUORD-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

Analyze 2-(2-chloro-4-fluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Chlorophenyl)-1-(4-morpholinyl)ethanone
CID 1124089
2-(2-Chlorophenyl)-1-morpholin-4-ylethanone
CID 1245975
2-(2-chloro-6-fluorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 1094119
[2-(3-Methylpiperidin-1-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 16289650
Ethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidine-4-carboxylate
CID 1094120
[1-(4-Chloro-phenyl)-cyclopentyl]-morpholin-4-yl-methanone
CID 2201258
(E)-3-(2-chlorophenyl)-1-morpholin-4-yl-2-phenylprop-2-en-1-one
CID 2286301
Ethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidine-3-carboxylate
CID 2963116
3-(2-chloro-6-fluorobenzyl)-4-hydroxy-1-(3-morpholinopropyl)-2(1H)-pyridinone
CID 54682628
2-(2-Chloro-6-fluorophenyl)-1-morpholin-4-ylethanone
CID 974102
4-(4-tert-Butyl-3-chlorophenyl)-1-(morpholin-4-yl)butan-1-one
CID 208683
Morpholine, 4-(4-(3-chloro-4-(1-methylethyl)phenyl)-1-oxobutyl)-
CID 208676

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]ethanone?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]ethanone (CID 45179410) is 2-(2-chloro-4-fluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]ethanone is CN(C)CCC1CN(C(=O)Cc2ccc(F)cc2Cl)CCO1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]ethanone?
The InChIKey is GKTCEOAWNUUORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O2/c1-19(2)6-5-14-11-20(7-8-22-14)16(21)9-12-3-4-13(18)10-15(12)17/h3-4,10,14H,5-9,11H2,1-2H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]ethanone?
2-(2-chloro-4-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-4-fluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 45179410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).