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

C15H18BrNO3 — CID 43082992

IUPAC2-(4-bromo-2-formylphenoxy)-N-cyclopentylpropanamide
SMILESCC(Oc1ccc(Br)cc1C=O)C(=O)NC1CCCC1
InChIInChI=1S/C15H18BrNO3/c1-10(15(19)17-13-4-2-3-5-13)20-14-7-6-12(16)8-11(14)9-18/h6-10,13H,2-5H2,1H3,(H,17,19)
InChIKeyQHJMSBWRXJMOAY-UHFFFAOYSA-N
MW340.22 g/mol
LogP3.09
Rot. Bonds5

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

2-(4-bromo-2-formylphenoxy)-N-cyclopentylpropanamide (PubChem CID 43082992) has the molecular formula C15H18BrNO3 and a molecular weight of 340.22 g/mol. Its IUPAC name is 2-(4-bromo-2-formylphenoxy)-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-(4-bromo-2-formylphenoxy)-N-cyclopentylpropanamide
PubChem CID43082992
Molecular FormulaC15H18BrNO3
Molecular Weight340.22 g/mol
Exact Mass339.05
IUPAC Name2-(4-bromo-2-formylphenoxy)-N-cyclopentylpropanamide
SMILESCC(Oc1ccc(Br)cc1C=O)C(=O)NC1CCCC1
InChIInChI=1S/C15H18BrNO3/c1-10(15(19)17-13-4-2-3-5-13)20-14-7-6-12(16)8-11(14)9-18/h6-10,13H,2-5H2,1H3,(H,17,19)
InChIKeyQHJMSBWRXJMOAY-UHFFFAOYSA-N
XLogP3.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(4-bromo-2-formylphenoxy)-N-(cyclohexylmethyl)propanamide
CID 7820098
(2S)-2-(4-bromo-2-formylphenoxy)-N-methylpropanamide
CID 28834154
N-cyclopropyl-2-(2-formyl-4-methoxyphenoxy)propanamide
CID 43212710
2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopentylpropanamide
CID 60905187
2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopropylpropanamide
CID 78932641
2-(4-bromo-2-formylphenoxy)-N-butan-2-ylpropanamide
CID 43112259
N-cyclopentyl-2-(2-fluoro-4-formylphenoxy)propanamide
CID 107689480
2-(3-bromophenoxy)-N-cyclopentylpropanamide
CID 43082983
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate
CID 7485930
2-(2-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 43083012
(2S)-2-(4-bromo-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 7820119
N-cyclohexyl-2-(2-fluoro-4-formylphenoxy)propanamide
CID 107689513

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-formylphenoxy)-N-cyclopentylpropanamide?
The IUPAC name of 2-(4-bromo-2-formylphenoxy)-N-cyclopentylpropanamide (CID 43082992) is 2-(4-bromo-2-formylphenoxy)-N-cyclopentylpropanamide.
What is the SMILES notation for 2-(4-bromo-2-formylphenoxy)-N-cyclopentylpropanamide?
The canonical SMILES for 2-(4-bromo-2-formylphenoxy)-N-cyclopentylpropanamide is CC(Oc1ccc(Br)cc1C=O)C(=O)NC1CCCC1.
What is the InChIKey of 2-(4-bromo-2-formylphenoxy)-N-cyclopentylpropanamide?
The InChIKey is QHJMSBWRXJMOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO3/c1-10(15(19)17-13-4-2-3-5-13)20-14-7-6-12(16)8-11(14)9-18/h6-10,13H,2-5H2,1H3,(H,17,19).
What are the key properties of 2-(4-bromo-2-formylphenoxy)-N-cyclopentylpropanamide?
2-(4-bromo-2-formylphenoxy)-N-cyclopentylpropanamide has a molecular weight of 340.22 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-formylphenoxy)-N-cyclopentylpropanamide is sourced from PubChem (CID 43082992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).