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

C12H14BrFN2O3 — CID 2522978

IUPAC2-(4-bromo-2-fluorophenoxy)-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)COc1ccc(Br)cc1F
InChIInChI=1S/C12H14BrFN2O3/c1-2-5-15-12(18)16-11(17)7-19-10-4-3-8(13)6-9(10)14/h3-4,6H,2,5,7H2,1H3,(H2,15,16,17,18)
InChIKeyVBUZQFIXMGGJNS-UHFFFAOYSA-N
MW333.16 g/mol
LogP2.20
Rot. Bonds5

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

2-(4-bromo-2-fluorophenoxy)-N-(propylcarbamoyl)acetamide (PubChem CID 2522978) has the molecular formula C12H14BrFN2O3 and a molecular weight of 333.16 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-(propylcarbamoyl)acetamide
PubChem CID2522978
Molecular FormulaC12H14BrFN2O3
Molecular Weight333.16 g/mol
Exact Mass332.02
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)COc1ccc(Br)cc1F
InChIInChI=1S/C12H14BrFN2O3/c1-2-5-15-12(18)16-11(17)7-19-10-4-3-8(13)6-9(10)14/h3-4,6H,2,5,7H2,1H3,(H2,15,16,17,18)
InChIKeyVBUZQFIXMGGJNS-UHFFFAOYSA-N
XLogP2.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-N-(propylcarbamoyl)acetamide
CID 5210911
2-(4-bromo-2-fluorophenoxy)-N-(2-methylpropylcarbamoyl)acetamide
CID 2522972
2-(4-bromo-2-fluorophenoxy)-N-[2-(diethylamino)ethyl]acetamide
CID 78774023
2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide
CID 78766268
2-(4-bromo-2-fluorophenoxy)-N-prop-2-ynylacetamide
CID 8808257
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525761
3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N-butan-2-ylpropanamide
CID 55948157
2-[4-[2-(4-bromo-2-fluorophenoxy)acetyl]piperazin-1-yl]-N-propylacetamide
CID 134014572
5-iodo-2-[2-oxo-2-(propylcarbamoylamino)ethoxy]benzoic acid
CID 78909446
N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 26929895
2-(4-bromo-2-fluorophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 62521032
(2S)-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]hexanoic acid
CID 107144003

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(propylcarbamoyl)acetamide (CID 2522978) is 2-(4-bromo-2-fluorophenoxy)-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)COc1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-(propylcarbamoyl)acetamide?
The InChIKey is VBUZQFIXMGGJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O3/c1-2-5-15-12(18)16-11(17)7-19-10-4-3-8(13)6-9(10)14/h3-4,6H,2,5,7H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-(propylcarbamoyl)acetamide?
2-(4-bromo-2-fluorophenoxy)-N-(propylcarbamoyl)acetamide has a molecular weight of 333.16 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 2522978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).