2-[3-(bromomethyl)phenyl]acetamide

C9H10BrNO — CID 151051771

IUPAC2-[3-(bromomethyl)phenyl]acetamide
SMILESNC(=O)Cc1cccc(CBr)c1
InChIInChI=1S/C9H10BrNO/c10-6-8-3-1-2-7(4-8)5-9(11)12/h1-4H,5-6H2,(H2,11,12)
InChIKeyMEGRMGFSLWHMJY-UHFFFAOYSA-N
MW228.09 g/mol
LogP1.61
Rot. Bonds3

About 2-[3-(bromomethyl)phenyl]acetamide

2-[3-(bromomethyl)phenyl]acetamide (PubChem CID 151051771) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 2-[3-(bromomethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(bromomethyl)phenyl]acetamide
PubChem CID151051771
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name2-[3-(bromomethyl)phenyl]acetamide
SMILESNC(=O)Cc1cccc(CBr)c1
InChIInChI=1S/C9H10BrNO/c10-6-8-3-1-2-7(4-8)5-9(11)12/h1-4H,5-6H2,(H2,11,12)
InChIKeyMEGRMGFSLWHMJY-UHFFFAOYSA-N
XLogP1.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[3-(bromomethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromophenyl)acetamide
CID 11736027
[3-(2-amino-2-oxoethyl)phenyl]methanesulfinic acid
CID 174767314
ethane;ethyl 2-[3-(bromomethyl)phenyl]acetate;methanamine
CID 143592739
1,2-bis[3-(bromomethyl)phenyl]ethane-1,2-dione
CID 141311973
2-(3-methylsulfanylphenyl)acetamide
CID 55254407
[3-(bromomethyl)phenyl]methanamine
CID 67540206
2-(3-bromo-4-hydroxyphenyl)acetamide
CID 57224771
2-[3-[(E)-2-phenylethenyl]phenyl]acetamide
CID 69082442
CID 69075658
CID 69075658
2-(3-aminophenyl)acetic acid;2-phenylacetamide
CID 157497347
2-[3-(carboxylatomethyl)phenyl]acetate
CID 6931669
2-[3-[2-(bromomethyl)phenyl]-4-hydroxyphenyl]acetamide
CID 141201818

Frequently Asked Questions

What is the IUPAC name of 2-[3-(bromomethyl)phenyl]acetamide?
The IUPAC name of 2-[3-(bromomethyl)phenyl]acetamide (CID 151051771) is 2-[3-(bromomethyl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(bromomethyl)phenyl]acetamide?
The canonical SMILES for 2-[3-(bromomethyl)phenyl]acetamide is NC(=O)Cc1cccc(CBr)c1.
What is the InChIKey of 2-[3-(bromomethyl)phenyl]acetamide?
The InChIKey is MEGRMGFSLWHMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c10-6-8-3-1-2-7(4-8)5-9(11)12/h1-4H,5-6H2,(H2,11,12).
What are the key properties of 2-[3-(bromomethyl)phenyl]acetamide?
2-[3-(bromomethyl)phenyl]acetamide has a molecular weight of 228.09 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(bromomethyl)phenyl]acetamide is sourced from PubChem (CID 151051771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).