2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-carbamoylacetamide

C10H11BrN2O4 — CID 55147530

IUPAC2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-carbamoylacetamide
SMILESNC(=O)NC(=O)COc1ccc(CO)cc1Br
InChIInChI=1S/C10H11BrN2O4/c11-7-3-6(4-14)1-2-8(7)17-5-9(15)13-10(12)16/h1-3,14H,4-5H2,(H3,12,13,15,16)
InChIKeyZHEBNCXYKOPRQC-UHFFFAOYSA-N
MW303.11 g/mol
LogP0.52
Rot. Bonds4

About 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-carbamoylacetamide

2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-carbamoylacetamide (PubChem CID 55147530) has the molecular formula C10H11BrN2O4 and a molecular weight of 303.11 g/mol. Its IUPAC name is 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-carbamoylacetamide.

Molecular Properties

Compound Name2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-carbamoylacetamide
PubChem CID55147530
Molecular FormulaC10H11BrN2O4
Molecular Weight303.11 g/mol
Exact Mass301.99
IUPAC Name2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-carbamoylacetamide
SMILESNC(=O)NC(=O)COc1ccc(CO)cc1Br
InChIInChI=1S/C10H11BrN2O4/c11-7-3-6(4-14)1-2-8(7)17-5-9(15)13-10(12)16/h1-3,14H,4-5H2,(H3,12,13,15,16)
InChIKeyZHEBNCXYKOPRQC-UHFFFAOYSA-N
XLogP0.52
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-bromo-4-[(propan-2-ylamino)methyl]phenoxy]-N-carbamoylacetamide
CID 63045872
2-[2-bromo-4-(propylaminomethyl)phenoxy]-N-carbamoylacetamide
CID 63044671
N-carbamoyl-2-[2-ethoxy-4-(hydroxymethyl)phenoxy]acetamide
CID 28561787
N-carbamoyl-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 28561616
2-[4-(aminomethyl)-2-bromophenoxy]-N-methylacetamide
CID 63046001
2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-(2-bromophenyl)acetamide
CID 63052653
2-(2-bromo-4-ethylphenoxy)acetohydrazide
CID 965908
2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 63044978
2-[4-(2-aminoethyl)-2-bromophenoxy]-N-(cyanomethyl)acetamide
CID 63050980
N-carbamoyl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]acetamide
CID 107687126
2-[4-(aminomethyl)-2-bromophenoxy]-N-(2-methylpropyl)acetamide
CID 55147518
N-carbamoyl-2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]acetamide
CID 43278167

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-carbamoylacetamide?
The IUPAC name of 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-carbamoylacetamide (CID 55147530) is 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-carbamoylacetamide.
What is the SMILES notation for 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-carbamoylacetamide?
The canonical SMILES for 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-carbamoylacetamide is NC(=O)NC(=O)COc1ccc(CO)cc1Br.
What is the InChIKey of 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-carbamoylacetamide?
The InChIKey is ZHEBNCXYKOPRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O4/c11-7-3-6(4-14)1-2-8(7)17-5-9(15)13-10(12)16/h1-3,14H,4-5H2,(H3,12,13,15,16).
What are the key properties of 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-carbamoylacetamide?
2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-carbamoylacetamide has a molecular weight of 303.11 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-carbamoylacetamide is sourced from PubChem (CID 55147530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).