2-(4-bromophenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide

C17H17BrFNO3 — CID 18113570

IUPAC2-(4-bromophenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)NCCOc1ccccc1F
InChIInChI=1S/C17H17BrFNO3/c1-12(23-14-8-6-13(18)7-9-14)17(21)20-10-11-22-16-5-3-2-4-15(16)19/h2-9,12H,10-11H2,1H3,(H,20,21)
InChIKeyGSDLJWUGUNDWDW-UHFFFAOYSA-N
MW382.23 g/mol
LogP3.55
Rot. Bonds7

About 2-(4-bromophenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide

2-(4-bromophenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide (PubChem CID 18113570) has the molecular formula C17H17BrFNO3 and a molecular weight of 382.23 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide
PubChem CID18113570
Molecular FormulaC17H17BrFNO3
Molecular Weight382.23 g/mol
Exact Mass381.04
IUPAC Name2-(4-bromophenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)NCCOc1ccccc1F
InChIInChI=1S/C17H17BrFNO3/c1-12(23-14-8-6-13(18)7-9-14)17(21)20-10-11-22-16-5-3-2-4-15(16)19/h2-9,12H,10-11H2,1H3,(H,20,21)
InChIKeyGSDLJWUGUNDWDW-UHFFFAOYSA-N
XLogP3.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.23
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenoxy)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 43017424
(2R)-2-(4-fluorophenoxy)-N-[2-(2-methylphenoxy)ethyl]propanamide
CID 94633905
N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenoxy)propanamide
CID 133164174
N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide
CID 110478459
(2R)-2-(4-bromophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 27823617
(2S)-2-(4-chlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 92540063
(2S)-N-[2-(2-methylphenoxy)ethyl]-2-phenoxypropanamide
CID 94633957
2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43083158
(2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]propanamide;hydrochloride
CID 119266845
(2S)-2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 9391636
2-(4-fluorophenoxy)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 46654879
2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 133211025

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide (CID 18113570) is 2-(4-bromophenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide is CC(Oc1ccc(Br)cc1)C(=O)NCCOc1ccccc1F.
What is the InChIKey of 2-(4-bromophenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide?
The InChIKey is GSDLJWUGUNDWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO3/c1-12(23-14-8-6-13(18)7-9-14)17(21)20-10-11-22-16-5-3-2-4-15(16)19/h2-9,12H,10-11H2,1H3,(H,20,21).
What are the key properties of 2-(4-bromophenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide?
2-(4-bromophenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide has a molecular weight of 382.23 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide is sourced from PubChem (CID 18113570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).