N-[2-(2-bromophenyl)ethyl]acetamide

C10H12BrNO — CID 10868448

IUPACN-[2-(2-bromophenyl)ethyl]acetamide
SMILESCC(=O)NCCc1ccccc1Br
InChIInChI=1S/C10H12BrNO/c1-8(13)12-7-6-9-4-2-3-5-10(9)11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyVVSUNRPCFIIDQL-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.13
Rot. Bonds3

About N-[2-(2-bromophenyl)ethyl]acetamide

N-[2-(2-bromophenyl)ethyl]acetamide (PubChem CID 10868448) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)ethyl]acetamide
PubChem CID10868448
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC NameN-[2-(2-bromophenyl)ethyl]acetamide
SMILESCC(=O)NCCc1ccccc1Br
InChIInChI=1S/C10H12BrNO/c1-8(13)12-7-6-9-4-2-3-5-10(9)11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyVVSUNRPCFIIDQL-UHFFFAOYSA-N
XLogP2.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[2-(2-bromophenyl)ethyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)ethyl]acetamide?
The IUPAC name of N-[2-(2-bromophenyl)ethyl]acetamide (CID 10868448) is N-[2-(2-bromophenyl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-bromophenyl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-bromophenyl)ethyl]acetamide is CC(=O)NCCc1ccccc1Br.
What is the InChIKey of N-[2-(2-bromophenyl)ethyl]acetamide?
The InChIKey is VVSUNRPCFIIDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-8(13)12-7-6-9-4-2-3-5-10(9)11/h2-5H,6-7H2,1H3,(H,12,13).
What are the key properties of N-[2-(2-bromophenyl)ethyl]acetamide?
N-[2-(2-bromophenyl)ethyl]acetamide has a molecular weight of 242.12 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)ethyl]acetamide is sourced from PubChem (CID 10868448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).