2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide

C10H12BrNO2 — CID 107216595

IUPAC2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
SMILESO=C(CBr)NCc1cccc(CO)c1
InChIInChI=1S/C10H12BrNO2/c11-5-10(14)12-6-8-2-1-3-9(4-8)7-13/h1-4,13H,5-7H2,(H,12,14)
InChIKeyAMJCBLKXANUZCR-UHFFFAOYSA-N
MW258.12 g/mol
LogP1.19
Rot. Bonds4

About 2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide

2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide (PubChem CID 107216595) has the molecular formula C10H12BrNO2 and a molecular weight of 258.12 g/mol. Its IUPAC name is 2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
PubChem CID107216595
Molecular FormulaC10H12BrNO2
Molecular Weight258.12 g/mol
Exact Mass257.01
IUPAC Name2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
SMILESO=C(CBr)NCc1cccc(CO)c1
InChIInChI=1S/C10H12BrNO2/c11-5-10(14)12-6-8-2-1-3-9(4-8)7-13/h1-4,13H,5-7H2,(H,12,14)
InChIKeyAMJCBLKXANUZCR-UHFFFAOYSA-N
XLogP1.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.19
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

5-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]pentanamide
CID 107910785
2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307
N-[[3-(hydroxymethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 63310818
4-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]butanamide
CID 107216596
2-(3-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 107210221
methyl 3-[[(2-bromoacetyl)amino]methyl]benzoate
CID 58009722
2-(cyclopropylmethylamino)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 103810427
4-(bromomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 107216600
2,6-dibromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 100695919
N-[[3-(hydroxymethyl)phenyl]methyl]-2-thiophen-3-ylacetamide
CID 63311259
2-cyclobutyl-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 103710693
4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methoxybutanamide
CID 107093408

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide (CID 107216595) is 2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide is O=C(CBr)NCc1cccc(CO)c1.
What is the InChIKey of 2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide?
The InChIKey is AMJCBLKXANUZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c11-5-10(14)12-6-8-2-1-3-9(4-8)7-13/h1-4,13H,5-7H2,(H,12,14).
What are the key properties of 2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide?
2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide has a molecular weight of 258.12 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 107216595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).