2-(5-bromo-2,3-difluorophenoxy)-N-cyclopropyl-N-ethylacetamide

C13H14BrF2NO2 — CID 107098987

IUPAC2-(5-bromo-2,3-difluorophenoxy)-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)COc1cc(Br)cc(F)c1F)C1CC1
InChIInChI=1S/C13H14BrF2NO2/c1-2-17(9-3-4-9)12(18)7-19-11-6-8(14)5-10(15)13(11)16/h5-6,9H,2-4,7H2,1H3
InChIKeyXDKJQIQXQQZMAM-UHFFFAOYSA-N
MW334.16 g/mol
LogP3.12
Rot. Bonds5

About 2-(5-bromo-2,3-difluorophenoxy)-N-cyclopropyl-N-ethylacetamide

2-(5-bromo-2,3-difluorophenoxy)-N-cyclopropyl-N-ethylacetamide (PubChem CID 107098987) has the molecular formula C13H14BrF2NO2 and a molecular weight of 334.16 g/mol. Its IUPAC name is 2-(5-bromo-2,3-difluorophenoxy)-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(5-bromo-2,3-difluorophenoxy)-N-cyclopropyl-N-ethylacetamide
PubChem CID107098987
Molecular FormulaC13H14BrF2NO2
Molecular Weight334.16 g/mol
Exact Mass333.02
IUPAC Name2-(5-bromo-2,3-difluorophenoxy)-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)COc1cc(Br)cc(F)c1F)C1CC1
InChIInChI=1S/C13H14BrF2NO2/c1-2-17(9-3-4-9)12(18)7-19-11-6-8(14)5-10(15)13(11)16/h5-6,9H,2-4,7H2,1H3
InChIKeyXDKJQIQXQQZMAM-UHFFFAOYSA-N
XLogP3.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N-ethyl-2-(2-fluoro-5-methylphenoxy)acetamide
CID 64854538
2-(2-amino-4-bromophenoxy)-N-cyclopropyl-N-ethylacetamide
CID 65431648
1-(5-bromo-2,3-difluorophenoxy)-3-methoxypropan-2-one
CID 107508257
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-cyclopropyl-N-ethylacetamide
CID 107700484
N-cyclopropyl-N-ethyl-2-(4-fluoro-3-methylphenoxy)acetamide
CID 81421978
2-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropyl-N-ethylacetamide
CID 61488078
N-cyclopropyl-N-ethyl-2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78932476
4-[[[2-(4-bromo-2-fluorophenoxy)acetyl]-cyclopropylamino]methyl]-N-methylbenzamide
CID 30797391
N-cyclopropyl-N-ethyl-2-(3-fluorophenoxy)acetamide
CID 60729344
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61487978
2-(2-amino-5-methylphenoxy)-N-cyclopropyl-N-ethylacetamide
CID 54957324
2-(2-amino-4-methylphenoxy)-N-cyclopropyl-N-ethylacetamide
CID 54957478

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-difluorophenoxy)-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-(5-bromo-2,3-difluorophenoxy)-N-cyclopropyl-N-ethylacetamide (CID 107098987) is 2-(5-bromo-2,3-difluorophenoxy)-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-(5-bromo-2,3-difluorophenoxy)-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-(5-bromo-2,3-difluorophenoxy)-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)COc1cc(Br)cc(F)c1F)C1CC1.
What is the InChIKey of 2-(5-bromo-2,3-difluorophenoxy)-N-cyclopropyl-N-ethylacetamide?
The InChIKey is XDKJQIQXQQZMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF2NO2/c1-2-17(9-3-4-9)12(18)7-19-11-6-8(14)5-10(15)13(11)16/h5-6,9H,2-4,7H2,1H3.
What are the key properties of 2-(5-bromo-2,3-difluorophenoxy)-N-cyclopropyl-N-ethylacetamide?
2-(5-bromo-2,3-difluorophenoxy)-N-cyclopropyl-N-ethylacetamide has a molecular weight of 334.16 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-difluorophenoxy)-N-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 107098987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).