2-(4-bromo-2-fluorophenoxy)-N-[2-(diethylamino)ethyl]acetamide

C14H20BrFN2O2 — CID 78774023

IUPAC2-(4-bromo-2-fluorophenoxy)-N-[2-(diethylamino)ethyl]acetamide
SMILESCCN(CC)CCNC(=O)COc1ccc(Br)cc1F
InChIInChI=1S/C14H20BrFN2O2/c1-3-18(4-2)8-7-17-14(19)10-20-13-6-5-11(15)9-12(13)16/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,19)
InChIKeyNAQNJKSIMKXCRM-UHFFFAOYSA-N
MW347.23 g/mol
LogP2.42
Rot. Bonds8

About 2-(4-bromo-2-fluorophenoxy)-N-[2-(diethylamino)ethyl]acetamide

2-(4-bromo-2-fluorophenoxy)-N-[2-(diethylamino)ethyl]acetamide (PubChem CID 78774023) has the molecular formula C14H20BrFN2O2 and a molecular weight of 347.23 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-[2-(diethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-[2-(diethylamino)ethyl]acetamide
PubChem CID78774023
Molecular FormulaC14H20BrFN2O2
Molecular Weight347.23 g/mol
Exact Mass346.07
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-[2-(diethylamino)ethyl]acetamide
SMILESCCN(CC)CCNC(=O)COc1ccc(Br)cc1F
InChIInChI=1S/C14H20BrFN2O2/c1-3-18(4-2)8-7-17-14(19)10-20-13-6-5-11(15)9-12(13)16/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,19)
InChIKeyNAQNJKSIMKXCRM-UHFFFAOYSA-N
XLogP2.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide
CID 78766268
2-(4-bromo-2-fluorophenoxy)-N-prop-2-ynylacetamide
CID 8808257
3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N-butan-2-ylpropanamide
CID 55948157
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,N-diethylethanamine
CID 58603321
4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 34543253
2-(4-bromo-2-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 51159372
2-(4-bromo-2-fluorophenoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]acetamide
CID 55521356
5-bromo-N-[2-(diethylamino)ethyl]-2-fluorobenzamide
CID 24691608
2-(4-bromo-2-fluorophenoxy)-N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]acetamide
CID 56561968
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N-(4-bromophenyl)acetamide
CID 55879510

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-[2-(diethylamino)ethyl]acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-[2-(diethylamino)ethyl]acetamide (CID 78774023) is 2-(4-bromo-2-fluorophenoxy)-N-[2-(diethylamino)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-[2-(diethylamino)ethyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-[2-(diethylamino)ethyl]acetamide is CCN(CC)CCNC(=O)COc1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-[2-(diethylamino)ethyl]acetamide?
The InChIKey is NAQNJKSIMKXCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2O2/c1-3-18(4-2)8-7-17-14(19)10-20-13-6-5-11(15)9-12(13)16/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,19).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-[2-(diethylamino)ethyl]acetamide?
2-(4-bromo-2-fluorophenoxy)-N-[2-(diethylamino)ethyl]acetamide has a molecular weight of 347.23 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-[2-(diethylamino)ethyl]acetamide is sourced from PubChem (CID 78774023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).