2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropylcarbamoyl)acetamide

C13H16BrFN2O3 — CID 34650983

IUPAC2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)COc1ccc(F)cc1Br
InChIInChI=1S/C13H16BrFN2O3/c1-8(2)6-16-13(19)17-12(18)7-20-11-4-3-9(15)5-10(11)14/h3-5,8H,6-7H2,1-2H3,(H2,16,17,18,19)
InChIKeyRHUCUUUNOHCTQT-UHFFFAOYSA-N
MW347.18 g/mol
LogP2.45
Rot. Bonds5

About 2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropylcarbamoyl)acetamide

2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropylcarbamoyl)acetamide (PubChem CID 34650983) has the molecular formula C13H16BrFN2O3 and a molecular weight of 347.18 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropylcarbamoyl)acetamide
PubChem CID34650983
Molecular FormulaC13H16BrFN2O3
Molecular Weight347.18 g/mol
Exact Mass346.03
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)COc1ccc(F)cc1Br
InChIInChI=1S/C13H16BrFN2O3/c1-8(2)6-16-13(19)17-12(18)7-20-11-4-3-9(15)5-10(11)14/h3-5,8H,6-7H2,1-2H3,(H2,16,17,18,19)
InChIKeyRHUCUUUNOHCTQT-UHFFFAOYSA-N
XLogP2.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-fluorophenoxy)-N-(2-methylpropylcarbamoyl)acetamide
CID 2522972
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525761
(2S)-2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-4-methylpentanoic acid
CID 61137914
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525806
2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide
CID 51279328
methyl 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]propanoate
CID 60637998
(2S,3R)-2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104964738
2-(2-bromo-4-fluorophenoxy)-N-prop-2-ynylacetamide
CID 18109952
(2S)-2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-propylpropanamide
CID 8733702
2-(2-bromo-4-fluorophenoxy)-N-(1-cyclopropylethyl)acetamide
CID 51202181
ethyl 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]propanoate
CID 61344943
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]acetamide
CID 8807860

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropylcarbamoyl)acetamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropylcarbamoyl)acetamide (CID 34650983) is 2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropylcarbamoyl)acetamide is CC(C)CNC(=O)NC(=O)COc1ccc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropylcarbamoyl)acetamide?
The InChIKey is RHUCUUUNOHCTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O3/c1-8(2)6-16-13(19)17-12(18)7-20-11-4-3-9(15)5-10(11)14/h3-5,8H,6-7H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropylcarbamoyl)acetamide?
2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropylcarbamoyl)acetamide has a molecular weight of 347.18 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropylcarbamoyl)acetamide is sourced from PubChem (CID 34650983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).