N-[2-(2-bromoethoxy)ethyl]-2-(2-fluorophenyl)-N-methylacetamide

C13H17BrFNO2 — CID 114242784

IUPACN-[2-(2-bromoethoxy)ethyl]-2-(2-fluorophenyl)-N-methylacetamide
SMILESCN(CCOCCBr)C(=O)Cc1ccccc1F
InChIInChI=1S/C13H17BrFNO2/c1-16(7-9-18-8-6-14)13(17)10-11-4-2-3-5-12(11)15/h2-5H,6-10H2,1H3
InChIKeyIIXYUNHQYGEBEZ-UHFFFAOYSA-N
MW318.19 g/mol
LogP2.24
Rot. Bonds7

About N-[2-(2-bromoethoxy)ethyl]-2-(2-fluorophenyl)-N-methylacetamide

N-[2-(2-bromoethoxy)ethyl]-2-(2-fluorophenyl)-N-methylacetamide (PubChem CID 114242784) has the molecular formula C13H17BrFNO2 and a molecular weight of 318.19 g/mol. Its IUPAC name is N-[2-(2-bromoethoxy)ethyl]-2-(2-fluorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(2-bromoethoxy)ethyl]-2-(2-fluorophenyl)-N-methylacetamide
PubChem CID114242784
Molecular FormulaC13H17BrFNO2
Molecular Weight318.19 g/mol
Exact Mass317.04
IUPAC NameN-[2-(2-bromoethoxy)ethyl]-2-(2-fluorophenyl)-N-methylacetamide
SMILESCN(CCOCCBr)C(=O)Cc1ccccc1F
InChIInChI=1S/C13H17BrFNO2/c1-16(7-9-18-8-6-14)13(17)10-11-4-2-3-5-12(11)15/h2-5H,6-10H2,1H3
InChIKeyIIXYUNHQYGEBEZ-UHFFFAOYSA-N
XLogP2.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-bromoethoxy)ethyl]-2-fluoro-N-methylbenzenesulfonamide
CID 114242897
N-[(2-aminophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 43458424
2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 78771203
N-(3-aminopropyl)-3-[(2-fluorophenyl)methoxy]-N-methylpropanamide
CID 63934653
N-[2-(2-bromoethoxy)ethyl]-3-chloro-4-fluoro-N-methylbenzamide
CID 114242832
3-(2-fluorophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 134049964
2-(4-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide
CID 114243374
N-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 134046604
N-[2-(2-bromoethoxy)ethyl]-5-fluoro-N,2-dimethylbenzamide
CID 114242810
N-(2-bromoethyl)-N-cyclohexyl-2-(2-fluorophenyl)acetamide
CID 80659219
3-bromo-N-[2-(2-bromoethoxy)ethyl]-N,2-dimethylbenzamide
CID 114242783
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 8503180

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethoxy)ethyl]-2-(2-fluorophenyl)-N-methylacetamide?
The IUPAC name of N-[2-(2-bromoethoxy)ethyl]-2-(2-fluorophenyl)-N-methylacetamide (CID 114242784) is N-[2-(2-bromoethoxy)ethyl]-2-(2-fluorophenyl)-N-methylacetamide.
What is the SMILES notation for N-[2-(2-bromoethoxy)ethyl]-2-(2-fluorophenyl)-N-methylacetamide?
The canonical SMILES for N-[2-(2-bromoethoxy)ethyl]-2-(2-fluorophenyl)-N-methylacetamide is CN(CCOCCBr)C(=O)Cc1ccccc1F.
What is the InChIKey of N-[2-(2-bromoethoxy)ethyl]-2-(2-fluorophenyl)-N-methylacetamide?
The InChIKey is IIXYUNHQYGEBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO2/c1-16(7-9-18-8-6-14)13(17)10-11-4-2-3-5-12(11)15/h2-5H,6-10H2,1H3.
What are the key properties of N-[2-(2-bromoethoxy)ethyl]-2-(2-fluorophenyl)-N-methylacetamide?
N-[2-(2-bromoethoxy)ethyl]-2-(2-fluorophenyl)-N-methylacetamide has a molecular weight of 318.19 g/mol, XLogP of 2.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethoxy)ethyl]-2-(2-fluorophenyl)-N-methylacetamide is sourced from PubChem (CID 114242784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).