N-[(2-bromophenyl)methyl]-N-methylacetamide

C10H12BrNO — CID 15835968

IUPACN-[(2-bromophenyl)methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1ccccc1Br
InChIInChI=1S/C10H12BrNO/c1-8(13)12(2)7-9-5-3-4-6-10(9)11/h3-6H,7H2,1-2H3
InChIKeyKGNPSZDOYGDOLS-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.43
Rot. Bonds2

About N-[(2-bromophenyl)methyl]-N-methylacetamide

N-[(2-bromophenyl)methyl]-N-methylacetamide (PubChem CID 15835968) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methylacetamide
PubChem CID15835968
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC NameN-[(2-bromophenyl)methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1ccccc1Br
InChIInChI=1S/C10H12BrNO/c1-8(13)12(2)7-9-5-3-4-6-10(9)11/h3-6H,7H2,1-2H3
InChIKeyKGNPSZDOYGDOLS-UHFFFAOYSA-N
XLogP2.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[(2-bromophenyl)methyl]-N-methylacetamide 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-bromophenyl)methyl]-N-methylacetamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methylacetamide (CID 15835968) is N-[(2-bromophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methylacetamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methylacetamide is CC(=O)N(C)Cc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methylacetamide?
The InChIKey is KGNPSZDOYGDOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-8(13)12(2)7-9-5-3-4-6-10(9)11/h3-6H,7H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-methylacetamide?
N-[(2-bromophenyl)methyl]-N-methylacetamide has a molecular weight of 242.12 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 15835968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).