2-(4-bromo-2-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide

C14H18BrFN2O3 — CID 51159372

IUPAC2-(4-bromo-2-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(COc1ccc(Br)cc1F)NCCN1CCOCC1
InChIInChI=1S/C14H18BrFN2O3/c15-11-1-2-13(12(16)9-11)21-10-14(19)17-3-4-18-5-7-20-8-6-18/h1-2,9H,3-8,10H2,(H,17,19)
InChIKeyHQNFNEIKSOTZII-UHFFFAOYSA-N
MW361.21 g/mol
LogP1.42
Rot. Bonds6

About 2-(4-bromo-2-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide

2-(4-bromo-2-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 51159372) has the molecular formula C14H18BrFN2O3 and a molecular weight of 361.21 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID51159372
Molecular FormulaC14H18BrFN2O3
Molecular Weight361.21 g/mol
Exact Mass360.05
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(COc1ccc(Br)cc1F)NCCN1CCOCC1
InChIInChI=1S/C14H18BrFN2O3/c15-11-1-2-13(12(16)9-11)21-10-14(19)17-3-4-18-5-7-20-8-6-18/h1-2,9H,3-8,10H2,(H,17,19)
InChIKeyHQNFNEIKSOTZII-UHFFFAOYSA-N
XLogP1.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.21
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-fluorophenoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]acetamide
CID 55521356
2-(4-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 888119
2-(2-chloro-4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 35161239
2-(3-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 47100694
2-(2-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 112977303
2-(3-chloro-4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 134002654
2-(4-bromo-2-fluorophenoxy)-N-[2-(diethylamino)ethyl]acetamide
CID 78774023
2-(2-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 806992
2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide
CID 78766268
2-(2-bromo-4-methylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide
CID 5146954
propan-2-yl 3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]propanoate
CID 51256426
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylethyl)urea
CID 108882401

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide (CID 51159372) is 2-(4-bromo-2-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide is O=C(COc1ccc(Br)cc1F)NCCN1CCOCC1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is HQNFNEIKSOTZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O3/c15-11-1-2-13(12(16)9-11)21-10-14(19)17-3-4-18-5-7-20-8-6-18/h1-2,9H,3-8,10H2,(H,17,19).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide?
2-(4-bromo-2-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 361.21 g/mol, XLogP of 1.42, 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-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 51159372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).