2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-propan-2-ylamino]acetamide

C13H16BrFN2O3 — CID 7997320

IUPAC2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)C(=O)COc1ccc(F)cc1Br
InChIInChI=1S/C13H16BrFN2O3/c1-8(2)17(6-12(16)18)13(19)7-20-11-4-3-9(15)5-10(11)14/h3-5,8H,6-7H2,1-2H3,(H2,16,18)
InChIKeyLYPGEVICCPHOQW-UHFFFAOYSA-N
MW347.18 g/mol
LogP1.69
Rot. Bonds6

About 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-propan-2-ylamino]acetamide

2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-propan-2-ylamino]acetamide (PubChem CID 7997320) has the molecular formula C13H16BrFN2O3 and a molecular weight of 347.18 g/mol. Its IUPAC name is 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-propan-2-ylamino]acetamide
PubChem CID7997320
Molecular FormulaC13H16BrFN2O3
Molecular Weight347.18 g/mol
Exact Mass346.03
IUPAC Name2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)C(=O)COc1ccc(F)cc1Br
InChIInChI=1S/C13H16BrFN2O3/c1-8(2)17(6-12(16)18)13(19)7-20-11-4-3-9(15)5-10(11)14/h3-5,8H,6-7H2,1-2H3,(H2,16,18)
InChIKeyLYPGEVICCPHOQW-UHFFFAOYSA-N
XLogP1.69
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]acetic acid
CID 43239764
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-propan-2-ylamino]acetic acid
CID 60831363
[(2S)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525758
methyl 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]propanoate
CID 60637998
2-(2-bromo-4-fluorophenoxy)-N,N-bis(2-hydroxyethyl)acetamide
CID 60653739
ethyl 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]propanoate
CID 61344943
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]acetamide
CID 8807860
2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide
CID 51279328
2-(2-bromo-4-fluorophenoxy)-N,N-bis(prop-2-enyl)acetamide
CID 78765407
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 107698259
2-(2-bromo-4-fluorophenoxy)-N-cyclohexyl-N-methylacetamide
CID 112786473
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-cyclopropylamino]acetic acid
CID 60825836

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-propan-2-ylamino]acetamide (CID 7997320) is 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)C(=O)COc1ccc(F)cc1Br.
What is the InChIKey of 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-propan-2-ylamino]acetamide?
The InChIKey is LYPGEVICCPHOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O3/c1-8(2)17(6-12(16)18)13(19)7-20-11-4-3-9(15)5-10(11)14/h3-5,8H,6-7H2,1-2H3,(H2,16,18).
What are the key properties of 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-propan-2-ylamino]acetamide?
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-propan-2-ylamino]acetamide has a molecular weight of 347.18 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-propan-2-ylamino]acetamide is sourced from PubChem (CID 7997320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).