N-[2-(2-bromo-4-methoxyphenyl)ethyl]-2-chloroacetamide

C11H13BrClNO2 — CID 166424763

IUPACN-[2-(2-bromo-4-methoxyphenyl)ethyl]-2-chloroacetamide
SMILESCOc1ccc(CCNC(=O)CCl)c(Br)c1
InChIInChI=1S/C11H13BrClNO2/c1-16-9-3-2-8(10(12)6-9)4-5-14-11(15)7-13/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKeyXIEVJPBASVSPBX-UHFFFAOYSA-N
MW306.59 g/mol
LogP2.36
Rot. Bonds5

About N-[2-(2-bromo-4-methoxyphenyl)ethyl]-2-chloroacetamide

N-[2-(2-bromo-4-methoxyphenyl)ethyl]-2-chloroacetamide (PubChem CID 166424763) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is N-[2-(2-bromo-4-methoxyphenyl)ethyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[2-(2-bromo-4-methoxyphenyl)ethyl]-2-chloroacetamide
PubChem CID166424763
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC NameN-[2-(2-bromo-4-methoxyphenyl)ethyl]-2-chloroacetamide
SMILESCOc1ccc(CCNC(=O)CCl)c(Br)c1
InChIInChI=1S/C11H13BrClNO2/c1-16-9-3-2-8(10(12)6-9)4-5-14-11(15)7-13/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKeyXIEVJPBASVSPBX-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[2-(2-bromo-4-methoxyphenyl)ethyl]-2-chloroacetamide?
The IUPAC name of N-[2-(2-bromo-4-methoxyphenyl)ethyl]-2-chloroacetamide (CID 166424763) is N-[2-(2-bromo-4-methoxyphenyl)ethyl]-2-chloroacetamide.
What is the SMILES notation for N-[2-(2-bromo-4-methoxyphenyl)ethyl]-2-chloroacetamide?
The canonical SMILES for N-[2-(2-bromo-4-methoxyphenyl)ethyl]-2-chloroacetamide is COc1ccc(CCNC(=O)CCl)c(Br)c1.
What is the InChIKey of N-[2-(2-bromo-4-methoxyphenyl)ethyl]-2-chloroacetamide?
The InChIKey is XIEVJPBASVSPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c1-16-9-3-2-8(10(12)6-9)4-5-14-11(15)7-13/h2-3,6H,4-5,7H2,1H3,(H,14,15).
What are the key properties of N-[2-(2-bromo-4-methoxyphenyl)ethyl]-2-chloroacetamide?
N-[2-(2-bromo-4-methoxyphenyl)ethyl]-2-chloroacetamide has a molecular weight of 306.59 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-4-methoxyphenyl)ethyl]-2-chloroacetamide is sourced from PubChem (CID 166424763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).