2-(2-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide

C14H17BrFNO2 — CID 43083012

IUPAC2-(2-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide
SMILESCC(Oc1ccc(F)cc1Br)C(=O)NC1CCCC1
InChIInChI=1S/C14H17BrFNO2/c1-9(14(18)17-11-4-2-3-5-11)19-13-7-6-10(16)8-12(13)15/h6-9,11H,2-5H2,1H3,(H,17,18)
InChIKeyJMKVZEOYXJCSTI-UHFFFAOYSA-N
MW330.20 g/mol
LogP3.41
Rot. Bonds4

About 2-(2-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide

2-(2-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide (PubChem CID 43083012) has the molecular formula C14H17BrFNO2 and a molecular weight of 330.20 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide
PubChem CID43083012
Molecular FormulaC14H17BrFNO2
Molecular Weight330.20 g/mol
Exact Mass329.04
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide
SMILESCC(Oc1ccc(F)cc1Br)C(=O)NC1CCCC1
InChIInChI=1S/C14H17BrFNO2/c1-9(14(18)17-11-4-2-3-5-11)19-13-7-6-10(16)8-12(13)15/h6-9,11H,2-5H2,1H3,(H,17,18)
InChIKeyJMKVZEOYXJCSTI-UHFFFAOYSA-N
XLogP3.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-N-(2-methylcyclohexyl)propanamide
CID 42990445
2-(2-amino-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 62367828
cis-(1S,3R)-3-[2-(2-bromo-4-fluorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120675875
(2R)-2-(2-bromo-4-fluorophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide
CID 8728717
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-bromo-4-fluorophenoxy)propanamide;hydrochloride
CID 119457092
N-cyclohexyl-2-[4-fluoro-2-(hydroxymethyl)phenoxy]propanamide
CID 107698395
ethyl 4-[2-(2-bromo-4-fluorophenoxy)propanoylamino]piperidine-1-carboxylate
CID 55562209
2-[2-(aminomethyl)-4-fluorophenoxy]-N-cyclopentylpropanamide
CID 107694934
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525763
(2R)-N-cyclopentyl-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 2631804
2-(3-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 83233705
2-(2-bromo-4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
CID 78872855

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide (CID 43083012) is 2-(2-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide is CC(Oc1ccc(F)cc1Br)C(=O)NC1CCCC1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide?
The InChIKey is JMKVZEOYXJCSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO2/c1-9(14(18)17-11-4-2-3-5-11)19-13-7-6-10(16)8-12(13)15/h6-9,11H,2-5H2,1H3,(H,17,18).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide?
2-(2-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide has a molecular weight of 330.20 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide is sourced from PubChem (CID 43083012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).