N-butyl-2-(4-cyano-3-fluorophenoxy)propanamide

C14H17FN2O2 — CID 79822692

IUPACN-butyl-2-(4-cyano-3-fluorophenoxy)propanamide
SMILESCCCCNC(=O)C(C)Oc1ccc(C#N)c(F)c1
InChIInChI=1S/C14H17FN2O2/c1-3-4-7-17-14(18)10(2)19-12-6-5-11(9-16)13(15)8-12/h5-6,8,10H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyUVIZEQJCWGYXPH-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.38
Rot. Bonds6

About N-butyl-2-(4-cyano-3-fluorophenoxy)propanamide

N-butyl-2-(4-cyano-3-fluorophenoxy)propanamide (PubChem CID 79822692) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is N-butyl-2-(4-cyano-3-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-butyl-2-(4-cyano-3-fluorophenoxy)propanamide
PubChem CID79822692
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC NameN-butyl-2-(4-cyano-3-fluorophenoxy)propanamide
SMILESCCCCNC(=O)C(C)Oc1ccc(C#N)c(F)c1
InChIInChI=1S/C14H17FN2O2/c1-3-4-7-17-14(18)10(2)19-12-6-5-11(9-16)13(15)8-12/h5-6,8,10H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyUVIZEQJCWGYXPH-UHFFFAOYSA-N
XLogP2.38
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(3-fluoro-4-methylphenoxy)propanamide
CID 107171439
2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-butylpropanamide
CID 107715865
2-(4-cyano-3-fluorophenoxy)propanoic acid
CID 22610140
N-butyl-2-(4-cyano-2-fluorophenoxy)propanamide
CID 103792212
(2S)-N-butyl-2-(4-methoxyphenoxy)propanamide
CID 42082748
methyl 4-[1-(butylamino)-1-oxopropan-2-yl]oxybenzoate
CID 60718466
2-(4-amino-2-cyanophenoxy)-N-pentylpropanamide
CID 61269021
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
N-butyl-2-(4-carbamothioylphenoxy)propanamide
CID 43116867

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-cyano-3-fluorophenoxy)propanamide?
The IUPAC name of N-butyl-2-(4-cyano-3-fluorophenoxy)propanamide (CID 79822692) is N-butyl-2-(4-cyano-3-fluorophenoxy)propanamide.
What is the SMILES notation for N-butyl-2-(4-cyano-3-fluorophenoxy)propanamide?
The canonical SMILES for N-butyl-2-(4-cyano-3-fluorophenoxy)propanamide is CCCCNC(=O)C(C)Oc1ccc(C#N)c(F)c1.
What is the InChIKey of N-butyl-2-(4-cyano-3-fluorophenoxy)propanamide?
The InChIKey is UVIZEQJCWGYXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-3-4-7-17-14(18)10(2)19-12-6-5-11(9-16)13(15)8-12/h5-6,8,10H,3-4,7H2,1-2H3,(H,17,18).
What are the key properties of N-butyl-2-(4-cyano-3-fluorophenoxy)propanamide?
N-butyl-2-(4-cyano-3-fluorophenoxy)propanamide has a molecular weight of 264.30 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-cyano-3-fluorophenoxy)propanamide is sourced from PubChem (CID 79822692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).