N-[3-(bromomethyl)-2,4-dichlorophenyl]-N-methylacetamide

C10H10BrCl2NO — CID 21254728

IUPACN-[3-(bromomethyl)-2,4-dichlorophenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(Cl)c(CBr)c1Cl
InChIInChI=1S/C10H10BrCl2NO/c1-6(15)14(2)9-4-3-8(12)7(5-11)10(9)13/h3-4H,5H2,1-2H3
InChIKeyFHIPRJKHLXWKNY-UHFFFAOYSA-N
MW311.01 g/mol
LogP3.87
Rot. Bonds2

About N-[3-(bromomethyl)-2,4-dichlorophenyl]-N-methylacetamide

N-[3-(bromomethyl)-2,4-dichlorophenyl]-N-methylacetamide (PubChem CID 21254728) has the molecular formula C10H10BrCl2NO and a molecular weight of 311.01 g/mol. Its IUPAC name is N-[3-(bromomethyl)-2,4-dichlorophenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[3-(bromomethyl)-2,4-dichlorophenyl]-N-methylacetamide
PubChem CID21254728
Molecular FormulaC10H10BrCl2NO
Molecular Weight311.01 g/mol
Exact Mass308.93
IUPAC NameN-[3-(bromomethyl)-2,4-dichlorophenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(Cl)c(CBr)c1Cl
InChIInChI=1S/C10H10BrCl2NO/c1-6(15)14(2)9-4-3-8(12)7(5-11)10(9)13/h3-4H,5H2,1-2H3
InChIKeyFHIPRJKHLXWKNY-UHFFFAOYSA-N
XLogP3.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.01
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(bromomethyl)-2,4-dichlorophenyl]-N-methylacetamide?
The IUPAC name of N-[3-(bromomethyl)-2,4-dichlorophenyl]-N-methylacetamide (CID 21254728) is N-[3-(bromomethyl)-2,4-dichlorophenyl]-N-methylacetamide.
What is the SMILES notation for N-[3-(bromomethyl)-2,4-dichlorophenyl]-N-methylacetamide?
The canonical SMILES for N-[3-(bromomethyl)-2,4-dichlorophenyl]-N-methylacetamide is CC(=O)N(C)c1ccc(Cl)c(CBr)c1Cl.
What is the InChIKey of N-[3-(bromomethyl)-2,4-dichlorophenyl]-N-methylacetamide?
The InChIKey is FHIPRJKHLXWKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrCl2NO/c1-6(15)14(2)9-4-3-8(12)7(5-11)10(9)13/h3-4H,5H2,1-2H3.
What are the key properties of N-[3-(bromomethyl)-2,4-dichlorophenyl]-N-methylacetamide?
N-[3-(bromomethyl)-2,4-dichlorophenyl]-N-methylacetamide has a molecular weight of 311.01 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(bromomethyl)-2,4-dichlorophenyl]-N-methylacetamide is sourced from PubChem (CID 21254728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).