2-(2-bromo-5-fluorophenoxy)-N,N-diethylpropanamide

C13H17BrFNO2 — CID 81494846

IUPAC2-(2-bromo-5-fluorophenoxy)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Oc1cc(F)ccc1Br
InChIInChI=1S/C13H17BrFNO2/c1-4-16(5-2)13(17)9(3)18-12-8-10(15)6-7-11(12)14/h6-9H,4-5H2,1-3H3
InChIKeyFORBPBMJNFBQBV-UHFFFAOYSA-N
MW318.19 g/mol
LogP3.22
Rot. Bonds5

About 2-(2-bromo-5-fluorophenoxy)-N,N-diethylpropanamide

2-(2-bromo-5-fluorophenoxy)-N,N-diethylpropanamide (PubChem CID 81494846) has the molecular formula C13H17BrFNO2 and a molecular weight of 318.19 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenoxy)-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenoxy)-N,N-diethylpropanamide
PubChem CID81494846
Molecular FormulaC13H17BrFNO2
Molecular Weight318.19 g/mol
Exact Mass317.04
IUPAC Name2-(2-bromo-5-fluorophenoxy)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Oc1cc(F)ccc1Br
InChIInChI=1S/C13H17BrFNO2/c1-4-16(5-2)13(17)9(3)18-12-8-10(15)6-7-11(12)14/h6-9H,4-5H2,1-3H3
InChIKeyFORBPBMJNFBQBV-UHFFFAOYSA-N
XLogP3.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-2-[5-fluoro-2-(1-hydroxyethyl)phenoxy]propanamide
CID 63067505
2-[2-(1-aminoethyl)-5-fluorophenoxy]-N,N-diethylpropanamide
CID 63065663
methyl (2S)-2-(2-bromo-5-fluorophenoxy)propanoate
CID 103338122
2-(2-bromo-5-fluorophenoxy)-N-pentylpropanamide
CID 81495069
2-(2-bromo-5-fluorophenoxy)-N-propan-2-ylpropanamide
CID 81496333
3-bromo-4-[1-(diethylamino)-1-oxopropan-2-yl]oxybenzenesulfonyl chloride
CID 82914083
2-(4-amino-2,5-difluorophenoxy)-N,N-diethylpropanamide
CID 63598648
2-[2-(aminomethyl)-4-bromophenoxy]-N,N-diethylpropanamide
CID 43125653
2-(2-bromo-4-fluorophenoxy)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]propanamide
CID 43077619
2-(4-bromo-2-carbamothioylphenoxy)-N,N-diethylpropanamide
CID 83145220
2-[(6-bromo-2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide
CID 12906196
N,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]phenoxy]propanamide
CID 78930736

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenoxy)-N,N-diethylpropanamide?
The IUPAC name of 2-(2-bromo-5-fluorophenoxy)-N,N-diethylpropanamide (CID 81494846) is 2-(2-bromo-5-fluorophenoxy)-N,N-diethylpropanamide.
What is the SMILES notation for 2-(2-bromo-5-fluorophenoxy)-N,N-diethylpropanamide?
The canonical SMILES for 2-(2-bromo-5-fluorophenoxy)-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)Oc1cc(F)ccc1Br.
What is the InChIKey of 2-(2-bromo-5-fluorophenoxy)-N,N-diethylpropanamide?
The InChIKey is FORBPBMJNFBQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO2/c1-4-16(5-2)13(17)9(3)18-12-8-10(15)6-7-11(12)14/h6-9H,4-5H2,1-3H3.
What are the key properties of 2-(2-bromo-5-fluorophenoxy)-N,N-diethylpropanamide?
2-(2-bromo-5-fluorophenoxy)-N,N-diethylpropanamide has a molecular weight of 318.19 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenoxy)-N,N-diethylpropanamide is sourced from PubChem (CID 81494846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).