N-cyclopentyl-2-(2,6-difluoro-4-formylphenoxy)propanamide

C15H17F2NO3 — CID 79884292

IUPACN-cyclopentyl-2-(2,6-difluoro-4-formylphenoxy)propanamide
SMILESCC(Oc1c(F)cc(C=O)cc1F)C(=O)NC1CCCC1
InChIInChI=1S/C15H17F2NO3/c1-9(15(20)18-11-4-2-3-5-11)21-14-12(16)6-10(8-19)7-13(14)17/h6-9,11H,2-5H2,1H3,(H,18,20)
InChIKeyAXPDHBWTJUCYMY-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.60
Rot. Bonds5

About N-cyclopentyl-2-(2,6-difluoro-4-formylphenoxy)propanamide

N-cyclopentyl-2-(2,6-difluoro-4-formylphenoxy)propanamide (PubChem CID 79884292) has the molecular formula C15H17F2NO3 and a molecular weight of 297.30 g/mol. Its IUPAC name is N-cyclopentyl-2-(2,6-difluoro-4-formylphenoxy)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2,6-difluoro-4-formylphenoxy)propanamide
PubChem CID79884292
Molecular FormulaC15H17F2NO3
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC NameN-cyclopentyl-2-(2,6-difluoro-4-formylphenoxy)propanamide
SMILESCC(Oc1c(F)cc(C=O)cc1F)C(=O)NC1CCCC1
InChIInChI=1S/C15H17F2NO3/c1-9(15(20)18-11-4-2-3-5-11)21-14-12(16)6-10(8-19)7-13(14)17/h6-9,11H,2-5H2,1H3,(H,18,20)
InChIKeyAXPDHBWTJUCYMY-UHFFFAOYSA-N
XLogP2.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.60
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

N-cyclopentyl-2-(2-fluoro-4-formylphenoxy)propanamide
CID 107689480
N-cyclohexyl-2-(2-fluoro-4-formylphenoxy)propanamide
CID 107689513
N-cyclopropyl-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide
CID 79882235
N-cyclopentyl-2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanamide
CID 107719756
2-(3-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 83233705
2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopentylpropanamide
CID 78933522
N-cyclooctyl-2-(4-fluorophenoxy)propanamide
CID 42909316
2-(4-bromo-2-formylphenoxy)-N-cyclopentylpropanamide
CID 43082992
2-[4-(aminomethyl)-2-fluorophenoxy]-N-cyclopentylpropanamide
CID 107665579
2-(2-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 43083012
2-(2-amino-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 62367828
(2R)-N-cyclopentyl-2-(1-formylnaphthalen-2-yl)oxypropanamide
CID 7763358

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2,6-difluoro-4-formylphenoxy)propanamide?
The IUPAC name of N-cyclopentyl-2-(2,6-difluoro-4-formylphenoxy)propanamide (CID 79884292) is N-cyclopentyl-2-(2,6-difluoro-4-formylphenoxy)propanamide.
What is the SMILES notation for N-cyclopentyl-2-(2,6-difluoro-4-formylphenoxy)propanamide?
The canonical SMILES for N-cyclopentyl-2-(2,6-difluoro-4-formylphenoxy)propanamide is CC(Oc1c(F)cc(C=O)cc1F)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(2,6-difluoro-4-formylphenoxy)propanamide?
The InChIKey is AXPDHBWTJUCYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO3/c1-9(15(20)18-11-4-2-3-5-11)21-14-12(16)6-10(8-19)7-13(14)17/h6-9,11H,2-5H2,1H3,(H,18,20).
What are the key properties of N-cyclopentyl-2-(2,6-difluoro-4-formylphenoxy)propanamide?
N-cyclopentyl-2-(2,6-difluoro-4-formylphenoxy)propanamide has a molecular weight of 297.30 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2,6-difluoro-4-formylphenoxy)propanamide is sourced from PubChem (CID 79884292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).