2-(4-cyanophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide

C20H21FN2O3 — CID 51260411

IUPAC2-(4-cyanophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NCCCCOc1ccc(F)cc1
InChIInChI=1S/C20H21FN2O3/c1-15(26-19-8-4-16(14-22)5-9-19)20(24)23-12-2-3-13-25-18-10-6-17(21)7-11-18/h4-11,15H,2-3,12-13H2,1H3,(H,23,24)
InChIKeyBJWZNUWWCQSCDK-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.44
Rot. Bonds9

About 2-(4-cyanophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide

2-(4-cyanophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide (PubChem CID 51260411) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide
PubChem CID51260411
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name2-(4-cyanophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NCCCCOc1ccc(F)cc1
InChIInChI=1S/C20H21FN2O3/c1-15(26-19-8-4-16(14-22)5-9-19)20(24)23-12-2-3-13-25-18-10-6-17(21)7-11-18/h4-11,15H,2-3,12-13H2,1H3,(H,23,24)
InChIKeyBJWZNUWWCQSCDK-UHFFFAOYSA-N
XLogP3.44
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyanophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 51157171
2-(4-fluorophenoxy)ethyl (2R)-2-(4-cyanophenoxy)propanoate
CID 7977972
4-cyano-N-[4-(4-fluorophenoxy)butyl]benzamide
CID 42572241
2-(4-fluorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 43391422
2-(2-bromo-4-fluorophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide
CID 55685733
4-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 7818685
2-(4-cyanophenoxy)-N-(3-cyclohexyloxypropyl)propanamide
CID 51222307
N-cyano-2-(4-fluorophenoxy)propanamide
CID 79193914
2-(4-fluorophenoxy)-N-propylpropanamide
CID 21366860
(2R)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenoxy)propanamide
CID 95161756
4-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxybutanoic acid
CID 107832580
(2R)-N-(4-cyanophenyl)-2-[4-(4-fluorobenzoyl)phenoxy]propanamide
CID 7433353

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide (CID 51260411) is 2-(4-cyanophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide is CC(Oc1ccc(C#N)cc1)C(=O)NCCCCOc1ccc(F)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide?
The InChIKey is BJWZNUWWCQSCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-15(26-19-8-4-16(14-22)5-9-19)20(24)23-12-2-3-13-25-18-10-6-17(21)7-11-18/h4-11,15H,2-3,12-13H2,1H3,(H,23,24).
What are the key properties of 2-(4-cyanophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide?
2-(4-cyanophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide has a molecular weight of 356.40 g/mol, XLogP of 3.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide is sourced from PubChem (CID 51260411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).