2-(2-bromo-4-fluorophenoxy)-N-carbamoylacetamide

C9H8BrFN2O3 — CID 2112829

IUPAC2-(2-bromo-4-fluorophenoxy)-N-carbamoylacetamide
SMILESNC(=O)NC(=O)COc1ccc(F)cc1Br
InChIInChI=1S/C9H8BrFN2O3/c10-6-3-5(11)1-2-7(6)16-4-8(14)13-9(12)15/h1-3H,4H2,(H3,12,13,14,15)
InChIKeyXRMGDELSBFZOGV-UHFFFAOYSA-N
MW291.08 g/mol
LogP1.16
Rot. Bonds3

About 2-(2-bromo-4-fluorophenoxy)-N-carbamoylacetamide

2-(2-bromo-4-fluorophenoxy)-N-carbamoylacetamide (PubChem CID 2112829) has the molecular formula C9H8BrFN2O3 and a molecular weight of 291.08 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-carbamoylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-carbamoylacetamide
PubChem CID2112829
Molecular FormulaC9H8BrFN2O3
Molecular Weight291.08 g/mol
Exact Mass289.97
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-carbamoylacetamide
SMILESNC(=O)NC(=O)COc1ccc(F)cc1Br
InChIInChI=1S/C9H8BrFN2O3/c10-6-3-5(11)1-2-7(6)16-4-8(14)13-9(12)15/h1-3H,4H2,(H3,12,13,14,15)
InChIKeyXRMGDELSBFZOGV-UHFFFAOYSA-N
XLogP1.16
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.08
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-Bromophenoxy)acetyl]imidazolidin-2-one
CID 9466285
N-(tert-butylcarbamoyl)-2-(2,4-dibromophenoxy)acetamide
CID 2632575
2-(2,4-dibromophenoxy)-N-[oxo-(propan-2-ylamino)methyl]acetamide
CID 2632577
2-(2-bromophenoxy)-N-(cyclopentylcarbamoyl)acetamide
CID 7847650
2-(2,4-dibromophenoxy)-N-(ethylcarbamoyl)propanamide
CID 16196796
N-(Aminocarbonyl)-2-phenoxyacetamide
CID 201493
2-(2-bromophenoxy)-N-methylacetamide
CID 8024487
2-(4-Bromophenoxy)acetamide
CID 302864
4-[2-(2-Bromo-4-fluorophenoxy)acetyl]piperazin-2-one
CID 2552042
[2-Oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(4-bromo-2-fluorophenoxy)acetate
CID 2998622
2-(2-bromophenoxy)-N-(1-cyano-2-methoxy-1-methylethyl)acetamide
CID 75436552
2-(2-Bromophenoxy)acetamide
CID 7847668

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-carbamoylacetamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-carbamoylacetamide (CID 2112829) is 2-(2-bromo-4-fluorophenoxy)-N-carbamoylacetamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-carbamoylacetamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-carbamoylacetamide is NC(=O)NC(=O)COc1ccc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-carbamoylacetamide?
The InChIKey is XRMGDELSBFZOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN2O3/c10-6-3-5(11)1-2-7(6)16-4-8(14)13-9(12)15/h1-3H,4H2,(H3,12,13,14,15).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-carbamoylacetamide?
2-(2-bromo-4-fluorophenoxy)-N-carbamoylacetamide has a molecular weight of 291.08 g/mol, XLogP of 1.16, 3 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-carbamoylacetamide is sourced from PubChem (CID 2112829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).