2-bromo-N-[4-(hydroxymethyl)phenyl]acetamide

C9H10BrNO2 — CID 23625045

IUPAC2-bromo-N-[4-(hydroxymethyl)phenyl]acetamide
SMILESO=C(CBr)Nc1ccc(CO)cc1
InChIInChI=1S/C9H10BrNO2/c10-5-9(13)11-8-3-1-7(6-12)2-4-8/h1-4,12H,5-6H2,(H,11,13)
InChIKeyFBEIZSQYLDFRLF-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.51
Rot. Bonds3

About 2-bromo-N-[4-(hydroxymethyl)phenyl]acetamide

2-bromo-N-[4-(hydroxymethyl)phenyl]acetamide (PubChem CID 23625045) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is 2-bromo-N-[4-(hydroxymethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[4-(hydroxymethyl)phenyl]acetamide
PubChem CID23625045
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Name2-bromo-N-[4-(hydroxymethyl)phenyl]acetamide
SMILESO=C(CBr)Nc1ccc(CO)cc1
InChIInChI=1S/C9H10BrNO2/c10-5-9(13)11-8-3-1-7(6-12)2-4-8/h1-4,12H,5-6H2,(H,11,13)
InChIKeyFBEIZSQYLDFRLF-UHFFFAOYSA-N
XLogP1.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[4-(hydroxymethyl)phenyl]acetamide;ethane
CID 144997622
[4-[(2-bromoacetyl)amino]phenyl]carbamic acid
CID 18543497
2-bromo-N-[4-(carbamoylamino)phenyl]acetamide
CID 63680454
2-bromo-N-(4-methylphenyl)acetamide;ethane
CID 143583882
N-[4-(hydroxymethyl)phenyl]-2-methoxyacetamide
CID 64794296
2-bromo-N-[4-[2-(methylamino)propyl]phenyl]acetamide
CID 163584070
2-bromo-N-[6-[(2-bromoacetyl)amino]naphthalen-2-yl]acetamide
CID 146415877
2-bromo-N-(4-ethynylphenyl)acetamide
CID 147225223
2-bromo-N-[4-[2-[4-[(2-bromoacetyl)amino]phenyl]propan-2-yl]phenyl]acetamide
CID 153321957
2-[4-[(2-bromoacetyl)amino]phenyl]ethyl formate
CID 54224709
8-[4-(hydroxymethyl)anilino]-8-oxooctanoic acid
CID 57326777
methyl N-[4-(hydroxymethyl)phenyl]carbamate
CID 64793961

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(hydroxymethyl)phenyl]acetamide?
The IUPAC name of 2-bromo-N-[4-(hydroxymethyl)phenyl]acetamide (CID 23625045) is 2-bromo-N-[4-(hydroxymethyl)phenyl]acetamide.
What is the SMILES notation for 2-bromo-N-[4-(hydroxymethyl)phenyl]acetamide?
The canonical SMILES for 2-bromo-N-[4-(hydroxymethyl)phenyl]acetamide is O=C(CBr)Nc1ccc(CO)cc1.
What is the InChIKey of 2-bromo-N-[4-(hydroxymethyl)phenyl]acetamide?
The InChIKey is FBEIZSQYLDFRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c10-5-9(13)11-8-3-1-7(6-12)2-4-8/h1-4,12H,5-6H2,(H,11,13).
What are the key properties of 2-bromo-N-[4-(hydroxymethyl)phenyl]acetamide?
2-bromo-N-[4-(hydroxymethyl)phenyl]acetamide has a molecular weight of 244.09 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(hydroxymethyl)phenyl]acetamide is sourced from PubChem (CID 23625045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).