2-(2-bromophenoxy)-N-carbamoylacetamide

C9H9BrN2O3 — CID 4791270

IUPAC2-(2-bromophenoxy)-N-carbamoylacetamide
SMILESNC(=O)NC(=O)COc1ccccc1Br
InChIInChI=1S/C9H9BrN2O3/c10-6-3-1-2-4-7(6)15-5-8(13)12-9(11)14/h1-4H,5H2,(H3,11,12,13,14)
InChIKeyFLJZOKRTJWBCAI-UHFFFAOYSA-N
MW273.09 g/mol
LogP1.02
Rot. Bonds3

About 2-(2-bromophenoxy)-N-carbamoylacetamide

2-(2-bromophenoxy)-N-carbamoylacetamide (PubChem CID 4791270) has the molecular formula C9H9BrN2O3 and a molecular weight of 273.09 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-carbamoylacetamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-carbamoylacetamide
PubChem CID4791270
Molecular FormulaC9H9BrN2O3
Molecular Weight273.09 g/mol
Exact Mass271.98
IUPAC Name2-(2-bromophenoxy)-N-carbamoylacetamide
SMILESNC(=O)NC(=O)COc1ccccc1Br
InChIInChI=1S/C9H9BrN2O3/c10-6-3-1-2-4-7(6)15-5-8(13)12-9(11)14/h1-4H,5H2,(H3,11,12,13,14)
InChIKeyFLJZOKRTJWBCAI-UHFFFAOYSA-N
XLogP1.02
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.09
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-carbamoylacetamide?
The IUPAC name of 2-(2-bromophenoxy)-N-carbamoylacetamide (CID 4791270) is 2-(2-bromophenoxy)-N-carbamoylacetamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-carbamoylacetamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-carbamoylacetamide is NC(=O)NC(=O)COc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenoxy)-N-carbamoylacetamide?
The InChIKey is FLJZOKRTJWBCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O3/c10-6-3-1-2-4-7(6)15-5-8(13)12-9(11)14/h1-4H,5H2,(H3,11,12,13,14).
What are the key properties of 2-(2-bromophenoxy)-N-carbamoylacetamide?
2-(2-bromophenoxy)-N-carbamoylacetamide has a molecular weight of 273.09 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-carbamoylacetamide is sourced from PubChem (CID 4791270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).