2-(4-bromo-2-fluorophenoxy)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide

C16H18BrFN2O2S — CID 43060685

IUPAC2-(4-bromo-2-fluorophenoxy)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide
SMILESCN(C)C(CNC(=O)COc1ccc(Br)cc1F)c1ccsc1
InChIInChI=1S/C16H18BrFN2O2S/c1-20(2)14(11-5-6-23-10-11)8-19-16(21)9-22-15-4-3-12(17)7-13(15)18/h3-7,10,14H,8-9H2,1-2H3,(H,19,21)
InChIKeyKKMVUYFPNQWUKU-UHFFFAOYSA-N
MW401.30 g/mol
LogP3.45
Rot. Bonds7

About 2-(4-bromo-2-fluorophenoxy)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide

2-(4-bromo-2-fluorophenoxy)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide (PubChem CID 43060685) has the molecular formula C16H18BrFN2O2S and a molecular weight of 401.30 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide
PubChem CID43060685
Molecular FormulaC16H18BrFN2O2S
Molecular Weight401.30 g/mol
Exact Mass400.03
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide
SMILESCN(C)C(CNC(=O)COc1ccc(Br)cc1F)c1ccsc1
InChIInChI=1S/C16H18BrFN2O2S/c1-20(2)14(11-5-6-23-10-11)8-19-16(21)9-22-15-4-3-12(17)7-13(15)18/h3-7,10,14H,8-9H2,1-2H3,(H,19,21)
InChIKeyKKMVUYFPNQWUKU-UHFFFAOYSA-N
XLogP3.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(3,5-dimethylphenoxy)acetamide
CID 16931215
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(3-methylphenoxy)acetamide
CID 16931206
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(4-ethylphenoxy)acetamide
CID 16931216
2-(4-bromo-2-fluorophenoxy)-N-(2-methylpropylcarbamoyl)acetamide
CID 2522972
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(2-fluorophenyl)acetamide
CID 32631324
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(2-fluorophenoxy)acetamide
CID 41318277
2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide
CID 78766268
2-(4-bromo-2-fluorophenoxy)-N-prop-2-ynylacetamide
CID 8808257
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide
CID 55830901
2-(4-bromo-2-fluorophenoxy)-N-[2-(diethylamino)ethyl]acetamide
CID 78774023
2-(2-fluorophenoxy)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
CID 16931482
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide
CID 16931154

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide (CID 43060685) is 2-(4-bromo-2-fluorophenoxy)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide is CN(C)C(CNC(=O)COc1ccc(Br)cc1F)c1ccsc1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide?
The InChIKey is KKMVUYFPNQWUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2O2S/c1-20(2)14(11-5-6-23-10-11)8-19-16(21)9-22-15-4-3-12(17)7-13(15)18/h3-7,10,14H,8-9H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide?
2-(4-bromo-2-fluorophenoxy)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide has a molecular weight of 401.30 g/mol, XLogP of 3.45, 7 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-(dimethylamino)-2-thiophen-3-ylethyl]acetamide is sourced from PubChem (CID 43060685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).