N-cyclopentyl-2-(2-fluoro-4-formylphenoxy)propanamide

C15H18FNO3 — CID 107689480

IUPACN-cyclopentyl-2-(2-fluoro-4-formylphenoxy)propanamide
SMILESCC(Oc1ccc(C=O)cc1F)C(=O)NC1CCCC1
InChIInChI=1S/C15H18FNO3/c1-10(15(19)17-12-4-2-3-5-12)20-14-7-6-11(9-18)8-13(14)16/h6-10,12H,2-5H2,1H3,(H,17,19)
InChIKeyXUZOWCUUIIHJCI-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.46
Rot. Bonds5

About N-cyclopentyl-2-(2-fluoro-4-formylphenoxy)propanamide

N-cyclopentyl-2-(2-fluoro-4-formylphenoxy)propanamide (PubChem CID 107689480) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-cyclopentyl-2-(2-fluoro-4-formylphenoxy)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2-fluoro-4-formylphenoxy)propanamide
PubChem CID107689480
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC NameN-cyclopentyl-2-(2-fluoro-4-formylphenoxy)propanamide
SMILESCC(Oc1ccc(C=O)cc1F)C(=O)NC1CCCC1
InChIInChI=1S/C15H18FNO3/c1-10(15(19)17-12-4-2-3-5-12)20-14-7-6-11(9-18)8-13(14)16/h6-10,12H,2-5H2,1H3,(H,17,19)
InChIKeyXUZOWCUUIIHJCI-UHFFFAOYSA-N
XLogP2.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-cyclopentyl-2-(2-fluoro-4-formylphenoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-2-(2-fluoro-4-formylphenoxy)propanamide
CID 107689513
N-cyclopentyl-2-(2,6-difluoro-4-formylphenoxy)propanamide
CID 79884292
(2R)-2-(2-fluoro-4-formylphenoxy)propanoic acid
CID 107685172
2-[4-(aminomethyl)-2-fluorophenoxy]-N-cyclopentylpropanamide
CID 107665579
2-(4-bromo-2-formylphenoxy)-N-cyclopentylpropanamide
CID 43082992
2-(2-fluoro-4-formylphenoxy)-N-pentan-2-ylpropanamide
CID 103850004
2-(2-amino-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 62367828
2-(2-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 43083012
(2R)-N-(cyclopentylcarbamoyl)-2-(4-formyl-2-nitrophenoxy)propanamide
CID 8559266
N-cyclohexyl-2-[4-fluoro-2-(hydroxymethyl)phenoxy]propanamide
CID 107698395
2-(4-chloro-2-methylphenoxy)-N-cycloheptylpropanamide
CID 2932831
2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopentylpropanamide
CID 78933522

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2-fluoro-4-formylphenoxy)propanamide?
The IUPAC name of N-cyclopentyl-2-(2-fluoro-4-formylphenoxy)propanamide (CID 107689480) is N-cyclopentyl-2-(2-fluoro-4-formylphenoxy)propanamide.
What is the SMILES notation for N-cyclopentyl-2-(2-fluoro-4-formylphenoxy)propanamide?
The canonical SMILES for N-cyclopentyl-2-(2-fluoro-4-formylphenoxy)propanamide is CC(Oc1ccc(C=O)cc1F)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(2-fluoro-4-formylphenoxy)propanamide?
The InChIKey is XUZOWCUUIIHJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-10(15(19)17-12-4-2-3-5-12)20-14-7-6-11(9-18)8-13(14)16/h6-10,12H,2-5H2,1H3,(H,17,19).
What are the key properties of N-cyclopentyl-2-(2-fluoro-4-formylphenoxy)propanamide?
N-cyclopentyl-2-(2-fluoro-4-formylphenoxy)propanamide has a molecular weight of 279.31 g/mol, XLogP of 2.46, 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-fluoro-4-formylphenoxy)propanamide is sourced from PubChem (CID 107689480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).