N-[3-(bromomethyl)-2,6-dichlorophenyl]-2,2-difluoro-N-methylacetamide

C10H8BrCl2F2NO — CID 130362235

IUPACN-[3-(bromomethyl)-2,6-dichlorophenyl]-2,2-difluoro-N-methylacetamide
SMILESCN(C(=O)C(F)F)c1c(Cl)ccc(CBr)c1Cl
InChIInChI=1S/C10H8BrCl2F2NO/c1-16(10(17)9(14)15)8-6(12)3-2-5(4-11)7(8)13/h2-3,9H,4H2,1H3
InChIKeyVIJWMHLLTISDTE-UHFFFAOYSA-N
MW346.99 g/mol
LogP4.12
Rot. Bonds3

About N-[3-(bromomethyl)-2,6-dichlorophenyl]-2,2-difluoro-N-methylacetamide

N-[3-(bromomethyl)-2,6-dichlorophenyl]-2,2-difluoro-N-methylacetamide (PubChem CID 130362235) has the molecular formula C10H8BrCl2F2NO and a molecular weight of 346.99 g/mol. Its IUPAC name is N-[3-(bromomethyl)-2,6-dichlorophenyl]-2,2-difluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[3-(bromomethyl)-2,6-dichlorophenyl]-2,2-difluoro-N-methylacetamide
PubChem CID130362235
Molecular FormulaC10H8BrCl2F2NO
Molecular Weight346.99 g/mol
Exact Mass344.91
IUPAC NameN-[3-(bromomethyl)-2,6-dichlorophenyl]-2,2-difluoro-N-methylacetamide
SMILESCN(C(=O)C(F)F)c1c(Cl)ccc(CBr)c1Cl
InChIInChI=1S/C10H8BrCl2F2NO/c1-16(10(17)9(14)15)8-6(12)3-2-5(4-11)7(8)13/h2-3,9H,4H2,1H3
InChIKeyVIJWMHLLTISDTE-UHFFFAOYSA-N
XLogP4.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.99
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[3-(bromomethyl)-2,6-dichlorophenyl]-2,2-difluoro-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-[3-(bromomethyl)-2,6-dichlorophenyl]-2,2-difluoro-N-methylacetamide?
The IUPAC name of N-[3-(bromomethyl)-2,6-dichlorophenyl]-2,2-difluoro-N-methylacetamide (CID 130362235) is N-[3-(bromomethyl)-2,6-dichlorophenyl]-2,2-difluoro-N-methylacetamide.
What is the SMILES notation for N-[3-(bromomethyl)-2,6-dichlorophenyl]-2,2-difluoro-N-methylacetamide?
The canonical SMILES for N-[3-(bromomethyl)-2,6-dichlorophenyl]-2,2-difluoro-N-methylacetamide is CN(C(=O)C(F)F)c1c(Cl)ccc(CBr)c1Cl.
What is the InChIKey of N-[3-(bromomethyl)-2,6-dichlorophenyl]-2,2-difluoro-N-methylacetamide?
The InChIKey is VIJWMHLLTISDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrCl2F2NO/c1-16(10(17)9(14)15)8-6(12)3-2-5(4-11)7(8)13/h2-3,9H,4H2,1H3.
What are the key properties of N-[3-(bromomethyl)-2,6-dichlorophenyl]-2,2-difluoro-N-methylacetamide?
N-[3-(bromomethyl)-2,6-dichlorophenyl]-2,2-difluoro-N-methylacetamide has a molecular weight of 346.99 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(bromomethyl)-2,6-dichlorophenyl]-2,2-difluoro-N-methylacetamide is sourced from PubChem (CID 130362235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).