2-(4-fluorophenoxy)-N-[(E)-pent-3-enyl]propanamide

C14H18FNO2 — CID 113236396

IUPAC2-(4-fluorophenoxy)-N-[(E)-pent-3-enyl]propanamide
SMILESC/C=C/CCNC(=O)C(C)Oc1ccc(F)cc1
InChIInChI=1S/C14H18FNO2/c1-3-4-5-10-16-14(17)11(2)18-13-8-6-12(15)7-9-13/h3-4,6-9,11H,5,10H2,1-2H3,(H,16,17)/b4-3+
InChIKeyOWOADDHWTABCNK-ONEGZZNKSA-N
MW251.30 g/mol
LogP2.68
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-[(E)-pent-3-enyl]propanamide

2-(4-fluorophenoxy)-N-[(E)-pent-3-enyl]propanamide (PubChem CID 113236396) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[(E)-pent-3-enyl]propanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[(E)-pent-3-enyl]propanamide
PubChem CID113236396
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name2-(4-fluorophenoxy)-N-[(E)-pent-3-enyl]propanamide
SMILESC/C=C/CCNC(=O)C(C)Oc1ccc(F)cc1
InChIInChI=1S/C14H18FNO2/c1-3-4-5-10-16-14(17)11(2)18-13-8-6-12(15)7-9-13/h3-4,6-9,11H,5,10H2,1-2H3,(H,16,17)/b4-3+
InChIKeyOWOADDHWTABCNK-ONEGZZNKSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenoxy)-N-[(E)-pent-3-enyl]propanamide
CID 115627833
2-(4-fluorophenoxy)-N-propylpropanamide
CID 21366860
2-(4-fluorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 43391422
2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 132654154
2-(4-fluorophenoxy)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 46654879
2-(4-fluorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64548620
(2S)-2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 9391636
N-[2-(4-fluorophenyl)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 112778014
(2R)-2-(4-fluorophenoxy)-N-propan-2-ylpropanamide
CID 94335659
(2R)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenoxy)propanamide
CID 95161756
2-(4-fluorophenoxy)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 43003184
(2R)-2-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 1083198

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[(E)-pent-3-enyl]propanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[(E)-pent-3-enyl]propanamide (CID 113236396) is 2-(4-fluorophenoxy)-N-[(E)-pent-3-enyl]propanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[(E)-pent-3-enyl]propanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[(E)-pent-3-enyl]propanamide is C/C=C/CCNC(=O)C(C)Oc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[(E)-pent-3-enyl]propanamide?
The InChIKey is OWOADDHWTABCNK-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-3-4-5-10-16-14(17)11(2)18-13-8-6-12(15)7-9-13/h3-4,6-9,11H,5,10H2,1-2H3,(H,16,17)/b4-3+.
What are the key properties of 2-(4-fluorophenoxy)-N-[(E)-pent-3-enyl]propanamide?
2-(4-fluorophenoxy)-N-[(E)-pent-3-enyl]propanamide has a molecular weight of 251.30 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[(E)-pent-3-enyl]propanamide is sourced from PubChem (CID 113236396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).