2-(2-fluorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide

C17H20FNO3 — CID 53286413

IUPAC2-(2-fluorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide
SMILESCCC(Oc1ccccc1F)C(=O)NCCCc1ccco1
InChIInChI=1S/C17H20FNO3/c1-2-15(22-16-10-4-3-9-14(16)18)17(20)19-11-5-7-13-8-6-12-21-13/h3-4,6,8-10,12,15H,2,5,7,11H2,1H3,(H,19,20)
InChIKeyQFCDCAWEDOLPOF-UHFFFAOYSA-N
MW305.35 g/mol
LogP3.33
Rot. Bonds8

About 2-(2-fluorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide

2-(2-fluorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide (PubChem CID 53286413) has the molecular formula C17H20FNO3 and a molecular weight of 305.35 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide
PubChem CID53286413
Molecular FormulaC17H20FNO3
Molecular Weight305.35 g/mol
Exact Mass305.14
IUPAC Name2-(2-fluorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide
SMILESCCC(Oc1ccccc1F)C(=O)NCCCc1ccco1
InChIInChI=1S/C17H20FNO3/c1-2-15(22-16-10-4-3-9-14(16)18)17(20)19-11-5-7-13-8-6-12-21-13/h3-4,6,8-10,12,15H,2,5,7,11H2,1H3,(H,19,20)
InChIKeyQFCDCAWEDOLPOF-UHFFFAOYSA-N
XLogP3.33
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 53.33
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

2-(4-chlorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide
CID 53285212
N-(3-aminopropyl)-2-(2-fluorophenoxy)butanamide;hydrochloride
CID 119409107
(2S)-2-(2-fluorophenoxy)-N-(3-methoxypropyl)butanamide
CID 40747099
2-(2-fluorophenoxy)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119434358
(2S)-2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 99817878
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 133211109
2-(2-fluorophenyl)-N-[3-(furan-2-yl)propyl]acetamide
CID 100637712
N-[3-(furan-2-yl)propyl]-2-(2-methylphenoxy)propanamide
CID 53283656
N-[3-(furan-2-yl)propyl]-2-(2-methoxyphenoxy)propanamide
CID 53286312
(2R)-2-(2-fluorophenoxy)-N-prop-2-enylbutanamide
CID 40747122
2-(2-fluorophenoxy)-N-propan-2-ylbutanamide
CID 53286261
N-[3-(4-fluorophenyl)propyl]-2-(2-methoxyphenoxy)butanamide
CID 132652633

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide (CID 53286413) is 2-(2-fluorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide is CCC(Oc1ccccc1F)C(=O)NCCCc1ccco1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide?
The InChIKey is QFCDCAWEDOLPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3/c1-2-15(22-16-10-4-3-9-14(16)18)17(20)19-11-5-7-13-8-6-12-21-13/h3-4,6,8-10,12,15H,2,5,7,11H2,1H3,(H,19,20).
What are the key properties of 2-(2-fluorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide?
2-(2-fluorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide has a molecular weight of 305.35 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide is sourced from PubChem (CID 53286413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).