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

C16H20FNO3 — CID 107689513

IUPACN-cyclohexyl-2-(2-fluoro-4-formylphenoxy)propanamide
SMILESCC(Oc1ccc(C=O)cc1F)C(=O)NC1CCCCC1
InChIInChI=1S/C16H20FNO3/c1-11(16(20)18-13-5-3-2-4-6-13)21-15-8-7-12(10-19)9-14(15)17/h7-11,13H,2-6H2,1H3,(H,18,20)
InChIKeyCJWIODCMTFHQKN-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.85
Rot. Bonds5

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

N-cyclohexyl-2-(2-fluoro-4-formylphenoxy)propanamide (PubChem CID 107689513) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-cyclohexyl-2-(2-fluoro-4-formylphenoxy)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2-fluoro-4-formylphenoxy)propanamide
PubChem CID107689513
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC NameN-cyclohexyl-2-(2-fluoro-4-formylphenoxy)propanamide
SMILESCC(Oc1ccc(C=O)cc1F)C(=O)NC1CCCCC1
InChIInChI=1S/C16H20FNO3/c1-11(16(20)18-13-5-3-2-4-6-13)21-15-8-7-12(10-19)9-14(15)17/h7-11,13H,2-6H2,1H3,(H,18,20)
InChIKeyCJWIODCMTFHQKN-UHFFFAOYSA-N
XLogP2.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.85
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-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-(2-fluoro-4-formylphenoxy)-N-pentan-2-ylpropanamide
CID 103850004
2-(4-bromo-2-formylphenoxy)-N-cyclopentylpropanamide
CID 43082992
N-cyclohexyl-2-[4-fluoro-2-(hydroxymethyl)phenoxy]propanamide
CID 107698395
2-(2-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 43083012
2-(2-amino-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 62367828
2-(4-chloro-2-methylphenoxy)-N-cycloheptylpropanamide
CID 2932831
(2R)-N-(cyclopentylcarbamoyl)-2-(4-formyl-2-nitrophenoxy)propanamide
CID 8559266
2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopentylpropanamide
CID 78933522

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2-fluoro-4-formylphenoxy)propanamide?
The IUPAC name of N-cyclohexyl-2-(2-fluoro-4-formylphenoxy)propanamide (CID 107689513) is N-cyclohexyl-2-(2-fluoro-4-formylphenoxy)propanamide.
What is the SMILES notation for N-cyclohexyl-2-(2-fluoro-4-formylphenoxy)propanamide?
The canonical SMILES for N-cyclohexyl-2-(2-fluoro-4-formylphenoxy)propanamide is CC(Oc1ccc(C=O)cc1F)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(2-fluoro-4-formylphenoxy)propanamide?
The InChIKey is CJWIODCMTFHQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-11(16(20)18-13-5-3-2-4-6-13)21-15-8-7-12(10-19)9-14(15)17/h7-11,13H,2-6H2,1H3,(H,18,20).
What are the key properties of N-cyclohexyl-2-(2-fluoro-4-formylphenoxy)propanamide?
N-cyclohexyl-2-(2-fluoro-4-formylphenoxy)propanamide has a molecular weight of 293.34 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2-fluoro-4-formylphenoxy)propanamide is sourced from PubChem (CID 107689513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).