2-(4-bromo-2-fluorophenoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]acetamide

C16H22BrFN2O3 — CID 55521356

IUPAC2-(4-bromo-2-fluorophenoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]acetamide
SMILESCC1CN(CCNC(=O)COc2ccc(Br)cc2F)CC(C)O1
InChIInChI=1S/C16H22BrFN2O3/c1-11-8-20(9-12(2)23-11)6-5-19-16(21)10-22-15-4-3-13(17)7-14(15)18/h3-4,7,11-12H,5-6,8-10H2,1-2H3,(H,19,21)
InChIKeyZJYSFABFHMLDSA-UHFFFAOYSA-N
MW389.27 g/mol
LogP2.19
Rot. Bonds6

About 2-(4-bromo-2-fluorophenoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]acetamide

2-(4-bromo-2-fluorophenoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]acetamide (PubChem CID 55521356) has the molecular formula C16H22BrFN2O3 and a molecular weight of 389.27 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]acetamide
PubChem CID55521356
Molecular FormulaC16H22BrFN2O3
Molecular Weight389.27 g/mol
Exact Mass388.08
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]acetamide
SMILESCC1CN(CCNC(=O)COc2ccc(Br)cc2F)CC(C)O1
InChIInChI=1S/C16H22BrFN2O3/c1-11-8-20(9-12(2)23-11)6-5-19-16(21)10-22-15-4-3-13(17)7-14(15)18/h3-4,7,11-12H,5-6,8-10H2,1-2H3,(H,19,21)
InChIKeyZJYSFABFHMLDSA-UHFFFAOYSA-N
XLogP2.19
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 51159372
2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide
CID 78766268
2-(4-bromo-2-fluorophenoxy)-N-[2-(diethylamino)ethyl]acetamide
CID 78774023
2-(4-bromo-2-fluorophenoxy)-N-prop-2-ynylacetamide
CID 8808257
2-(4-bromo-2-fluorophenoxy)-N-(propylcarbamoyl)acetamide
CID 2522978
propan-2-yl 3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]propanoate
CID 51256426
2-(4-bromo-2-fluorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]acetamide
CID 66005157
3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N-butan-2-ylpropanamide
CID 55948157
1-[2-(4-bromo-2-fluorophenoxy)acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721201
2-[4-[2-(4-bromo-2-fluorophenoxy)acetyl]piperazin-1-yl]-N-propylacetamide
CID 134014572
2-(4-bromo-2-fluorophenoxy)-N-(2-methylpropylcarbamoyl)acetamide
CID 2522972
2-(4-bromo-2-fluorophenoxy)-N-(1-cyclopropylethyl)acetamide
CID 47113835

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]acetamide (CID 55521356) is 2-(4-bromo-2-fluorophenoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]acetamide is CC1CN(CCNC(=O)COc2ccc(Br)cc2F)CC(C)O1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]acetamide?
The InChIKey is ZJYSFABFHMLDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrFN2O3/c1-11-8-20(9-12(2)23-11)6-5-19-16(21)10-22-15-4-3-13(17)7-14(15)18/h3-4,7,11-12H,5-6,8-10H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]acetamide?
2-(4-bromo-2-fluorophenoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]acetamide has a molecular weight of 389.27 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]acetamide is sourced from PubChem (CID 55521356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).