2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]acetamide

C10H10BrFN2O3 — CID 8807860

IUPAC2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]acetamide
SMILESNC(=O)CNC(=O)COc1ccc(F)cc1Br
InChIInChI=1S/C10H10BrFN2O3/c11-7-3-6(12)1-2-8(7)17-5-10(16)14-4-9(13)15/h1-3H,4-5H2,(H2,13,15)(H,14,16)
InChIKeyQVZRKLMENWDSTL-UHFFFAOYSA-N
MW305.10 g/mol
LogP0.57
Rot. Bonds5

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

2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]acetamide (PubChem CID 8807860) has the molecular formula C10H10BrFN2O3 and a molecular weight of 305.10 g/mol. Its IUPAC name is 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]acetamide
PubChem CID8807860
Molecular FormulaC10H10BrFN2O3
Molecular Weight305.10 g/mol
Exact Mass303.99
IUPAC Name2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]acetamide
SMILESNC(=O)CNC(=O)COc1ccc(F)cc1Br
InChIInChI=1S/C10H10BrFN2O3/c11-7-3-6(12)1-2-8(7)17-5-10(16)14-4-9(13)15/h1-3H,4-5H2,(H2,13,15)(H,14,16)
InChIKeyQVZRKLMENWDSTL-UHFFFAOYSA-N
XLogP0.57
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.10
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 8807867
2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide
CID 51279328
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-bromophenyl)acetamide
CID 34648957
2-(2-bromo-4-fluorophenoxy)-N-prop-2-ynylacetamide
CID 18109952
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 31127033
4-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]butanoic acid
CID 43239243
methyl 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]propanoate
CID 60637998
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-ethylphenyl)acetamide
CID 34648970
2-(2-bromo-4-fluorophenoxy)-N-cyanoacetamide
CID 79194674
2-(2-bromo-4-fluorophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
CID 107845477
2-(2-bromo-4-fluorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751339
2-(2-chloro-4-fluorophenoxy)-N-(2-chloroprop-2-enyl)acetamide
CID 115636624

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]acetamide?
The IUPAC name of 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]acetamide (CID 8807860) is 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]acetamide.
What is the SMILES notation for 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]acetamide?
The canonical SMILES for 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]acetamide is NC(=O)CNC(=O)COc1ccc(F)cc1Br.
What is the InChIKey of 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]acetamide?
The InChIKey is QVZRKLMENWDSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2O3/c11-7-3-6(12)1-2-8(7)17-5-10(16)14-4-9(13)15/h1-3H,4-5H2,(H2,13,15)(H,14,16).
What are the key properties of 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]acetamide?
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]acetamide has a molecular weight of 305.10 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]acetamide is sourced from PubChem (CID 8807860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).