N-[1-(2-bromophenyl)ethyl]-2-chloroacetamide

C10H11BrClNO — CID 3678007

IUPACN-[1-(2-bromophenyl)ethyl]-2-chloroacetamide
SMILESCC(NC(=O)CCl)c1ccccc1Br
InChIInChI=1S/C10H11BrClNO/c1-7(13-10(14)6-12)8-4-2-3-5-9(8)11/h2-5,7H,6H2,1H3,(H,13,14)
InChIKeyRRBILYKCBGQDEH-UHFFFAOYSA-N
MW276.56 g/mol
LogP2.87
Rot. Bonds3

About N-[1-(2-bromophenyl)ethyl]-2-chloroacetamide

N-[1-(2-bromophenyl)ethyl]-2-chloroacetamide (PubChem CID 3678007) has the molecular formula C10H11BrClNO and a molecular weight of 276.56 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-2-chloroacetamide
PubChem CID3678007
Molecular FormulaC10H11BrClNO
Molecular Weight276.56 g/mol
Exact Mass274.97
IUPAC NameN-[1-(2-bromophenyl)ethyl]-2-chloroacetamide
SMILESCC(NC(=O)CCl)c1ccccc1Br
InChIInChI=1S/C10H11BrClNO/c1-7(13-10(14)6-12)8-4-2-3-5-9(8)11/h2-5,7H,6H2,1H3,(H,13,14)
InChIKeyRRBILYKCBGQDEH-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[1-(2-bromophenyl)ethyl]-2-chloroacetamide 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-[1-(2-bromophenyl)ethyl]-2-chloroacetamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-chloroacetamide (CID 3678007) is N-[1-(2-bromophenyl)ethyl]-2-chloroacetamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-2-chloroacetamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-2-chloroacetamide is CC(NC(=O)CCl)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-2-chloroacetamide?
The InChIKey is RRBILYKCBGQDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO/c1-7(13-10(14)6-12)8-4-2-3-5-9(8)11/h2-5,7H,6H2,1H3,(H,13,14).
What are the key properties of N-[1-(2-bromophenyl)ethyl]-2-chloroacetamide?
N-[1-(2-bromophenyl)ethyl]-2-chloroacetamide has a molecular weight of 276.56 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-2-chloroacetamide is sourced from PubChem (CID 3678007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).