N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide

C13H16BrNO2 — CID 60629010

IUPACN-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide
SMILESCN(CCOc1ccc(Br)cc1)C(=O)C1CC1
InChIInChI=1S/C13H16BrNO2/c1-15(13(16)10-2-3-10)8-9-17-12-6-4-11(14)5-7-12/h4-7,10H,2-3,8-9H2,1H3
InChIKeyUVLZCCYDNJMSTD-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.70
Rot. Bonds5

About N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide

N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide (PubChem CID 60629010) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide
PubChem CID60629010
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide
SMILESCN(CCOc1ccc(Br)cc1)C(=O)C1CC1
InChIInChI=1S/C13H16BrNO2/c1-15(13(16)10-2-3-10)8-9-17-12-6-4-11(14)5-7-12/h4-7,10H,2-3,8-9H2,1H3
InChIKeyUVLZCCYDNJMSTD-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983601
2-[2-(4-bromophenoxy)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60952814
2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 64823580
(2S)-N-[2-(4-bromophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119684300
4-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopent-2-ene-1-carboxamide
CID 79210396
N-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide
CID 60629006
4-[methyl(3-phenoxypropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672844
N-[2-(4-bromophenoxy)ethyl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide
CID 29235706
2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpropanamide
CID 61266801
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclobutanamine
CID 115666053
1-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 60937922
N-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 24503267

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide (CID 60629010) is N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide is CN(CCOc1ccc(Br)cc1)C(=O)C1CC1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide?
The InChIKey is UVLZCCYDNJMSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-15(13(16)10-2-3-10)8-9-17-12-6-4-11(14)5-7-12/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide?
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide has a molecular weight of 298.18 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 60629010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).