2-bromo-N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethylpropanamide

C13H17BrClNO2 — CID 115649486

IUPAC2-bromo-N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)C(C)(C)Br
InChIInChI=1S/C13H17BrClNO2/c1-13(2,14)12(17)16(3)8-9-18-11-6-4-10(15)5-7-11/h4-7H,8-9H2,1-3H3
InChIKeyTZFIKHISXLCYMP-UHFFFAOYSA-N
MW334.64 g/mol
LogP3.35
Rot. Bonds5

About 2-bromo-N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethylpropanamide

2-bromo-N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethylpropanamide (PubChem CID 115649486) has the molecular formula C13H17BrClNO2 and a molecular weight of 334.64 g/mol. Its IUPAC name is 2-bromo-N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-bromo-N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
PubChem CID115649486
Molecular FormulaC13H17BrClNO2
Molecular Weight334.64 g/mol
Exact Mass333.01
IUPAC Name2-bromo-N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)C(C)(C)Br
InChIInChI=1S/C13H17BrClNO2/c1-13(2,14)12(17)16(3)8-9-18-11-6-4-10(15)5-7-11/h4-7H,8-9H2,1-3H3
InChIKeyTZFIKHISXLCYMP-UHFFFAOYSA-N
XLogP3.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-(4-chlorophenoxy)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide
CID 79793142
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307950
(2R)-2-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3,3-trimethylbutanamide
CID 103929089
2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpropanamide
CID 61266801
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-(methylamino)butanamide
CID 54868859
tert-butyl N-[4-[2-(4-chlorophenoxy)ethyl-methylamino]-4-oxobutyl]carbamate
CID 55406068
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(methylamino)propanamide
CID 60718587
N-[2-(4-chlorophenoxy)ethyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 35691977
2-amino-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylpentanamide
CID 60938123
2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpentanamide
CID 60937668
1-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115452729
N-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide
CID 112792734

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethylpropanamide?
The IUPAC name of 2-bromo-N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethylpropanamide (CID 115649486) is 2-bromo-N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-bromo-N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethylpropanamide?
The canonical SMILES for 2-bromo-N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethylpropanamide is CN(CCOc1ccc(Cl)cc1)C(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethylpropanamide?
The InChIKey is TZFIKHISXLCYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO2/c1-13(2,14)12(17)16(3)8-9-18-11-6-4-10(15)5-7-11/h4-7H,8-9H2,1-3H3.
What are the key properties of 2-bromo-N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethylpropanamide?
2-bromo-N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethylpropanamide has a molecular weight of 334.64 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 115649486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).