N-butyl-2-(3-fluoro-4-methylphenoxy)propanamide

C14H20FNO2 — CID 107171439

IUPACN-butyl-2-(3-fluoro-4-methylphenoxy)propanamide
SMILESCCCCNC(=O)C(C)Oc1ccc(C)c(F)c1
InChIInChI=1S/C14H20FNO2/c1-4-5-8-16-14(17)11(3)18-12-7-6-10(2)13(15)9-12/h6-7,9,11H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyWJMNVCHXYLYQLP-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.82
Rot. Bonds6

About N-butyl-2-(3-fluoro-4-methylphenoxy)propanamide

N-butyl-2-(3-fluoro-4-methylphenoxy)propanamide (PubChem CID 107171439) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is N-butyl-2-(3-fluoro-4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-butyl-2-(3-fluoro-4-methylphenoxy)propanamide
PubChem CID107171439
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC NameN-butyl-2-(3-fluoro-4-methylphenoxy)propanamide
SMILESCCCCNC(=O)C(C)Oc1ccc(C)c(F)c1
InChIInChI=1S/C14H20FNO2/c1-4-5-8-16-14(17)11(3)18-12-7-6-10(2)13(15)9-12/h6-7,9,11H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyWJMNVCHXYLYQLP-UHFFFAOYSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-butylpropanamide
CID 107715865
N-butyl-2-(4-cyano-3-fluorophenoxy)propanamide
CID 79822692
(2S)-N-butyl-2-(4-methoxyphenoxy)propanamide
CID 42082748
N-butyl-2-(4-iodophenoxy)propanamide
CID 60718400
(2S)-2-(4-bromophenoxy)-N-butylpropanamide
CID 28826027
2-(3,4-difluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430409
(2S)-N-butyl-2-(2,5-difluorophenoxy)propanamide
CID 95973725
methyl 4-[1-(butylamino)-1-oxopropan-2-yl]oxybenzoate
CID 60718466
N-butyl-2-[4-(2-hydroxypropyl)phenoxy]propanamide
CID 115495782
2-(4-fluorophenoxy)-N-propylpropanamide
CID 21366860
N-pentyl-2-(4-propan-2-ylphenoxy)propanamide
CID 64763482
N-butyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide
CID 43504088

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3-fluoro-4-methylphenoxy)propanamide?
The IUPAC name of N-butyl-2-(3-fluoro-4-methylphenoxy)propanamide (CID 107171439) is N-butyl-2-(3-fluoro-4-methylphenoxy)propanamide.
What is the SMILES notation for N-butyl-2-(3-fluoro-4-methylphenoxy)propanamide?
The canonical SMILES for N-butyl-2-(3-fluoro-4-methylphenoxy)propanamide is CCCCNC(=O)C(C)Oc1ccc(C)c(F)c1.
What is the InChIKey of N-butyl-2-(3-fluoro-4-methylphenoxy)propanamide?
The InChIKey is WJMNVCHXYLYQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-4-5-8-16-14(17)11(3)18-12-7-6-10(2)13(15)9-12/h6-7,9,11H,4-5,8H2,1-3H3,(H,16,17).
What are the key properties of N-butyl-2-(3-fluoro-4-methylphenoxy)propanamide?
N-butyl-2-(3-fluoro-4-methylphenoxy)propanamide has a molecular weight of 253.32 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3-fluoro-4-methylphenoxy)propanamide is sourced from PubChem (CID 107171439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).