2-(3-fluorophenoxy)-N-phenyl-N-prop-2-enylpropanamide

C18H18FNO2 — CID 78852544

IUPAC2-(3-fluorophenoxy)-N-phenyl-N-prop-2-enylpropanamide
SMILESC=CCN(C(=O)C(C)Oc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C18H18FNO2/c1-3-12-20(16-9-5-4-6-10-16)18(21)14(2)22-17-11-7-8-15(19)13-17/h3-11,13-14H,1,12H2,2H3
InChIKeySLGZRIUZCOTKMP-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.81
Rot. Bonds6

About 2-(3-fluorophenoxy)-N-phenyl-N-prop-2-enylpropanamide

2-(3-fluorophenoxy)-N-phenyl-N-prop-2-enylpropanamide (PubChem CID 78852544) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-phenyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-phenyl-N-prop-2-enylpropanamide
PubChem CID78852544
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name2-(3-fluorophenoxy)-N-phenyl-N-prop-2-enylpropanamide
SMILESC=CCN(C(=O)C(C)Oc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C18H18FNO2/c1-3-12-20(16-9-5-4-6-10-16)18(21)14(2)22-17-11-7-8-15(19)13-17/h3-11,13-14H,1,12H2,2H3
InChIKeySLGZRIUZCOTKMP-UHFFFAOYSA-N
XLogP3.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxy-N-[2-[N-(2-phenoxypropanoyl)anilino]ethyl]-N-phenylpropanamide
CID 4940214
2-chloro-N-phenyl-N-prop-2-enylpropanamide
CID 14417035
(2S)-N-ethyl-2-phenoxy-N-phenylpropanamide
CID 670227
2-[2-(3-fluorophenoxy)propanoyl-methylamino]propanoic acid
CID 62626189
4-[2-(3-fluorophenoxy)propanoyl-methylamino]butanoic acid
CID 43360056
2-(3-fluorophenoxy)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 78886785
2-(3-fluorophenoxy)propanoyl chloride
CID 139218096
3-[cyclopropyl-[2-(3-fluorophenoxy)propanoyl]amino]propanoic acid
CID 60845409
1-chloro-3-(3-fluorophenoxy)butan-2-one
CID 82040238
2-(3-fluorophenoxy)-N-methyl-N-phenylacetamide
CID 78762284
(2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide
CID 30865784
ethyl 2-[2-phenoxypropanoyl(prop-2-enyl)amino]-1,3-thiazole-4-carboxylate
CID 47074172

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-phenyl-N-prop-2-enylpropanamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-phenyl-N-prop-2-enylpropanamide (CID 78852544) is 2-(3-fluorophenoxy)-N-phenyl-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-phenyl-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-phenyl-N-prop-2-enylpropanamide is C=CCN(C(=O)C(C)Oc1cccc(F)c1)c1ccccc1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-phenyl-N-prop-2-enylpropanamide?
The InChIKey is SLGZRIUZCOTKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-3-12-20(16-9-5-4-6-10-16)18(21)14(2)22-17-11-7-8-15(19)13-17/h3-11,13-14H,1,12H2,2H3.
What are the key properties of 2-(3-fluorophenoxy)-N-phenyl-N-prop-2-enylpropanamide?
2-(3-fluorophenoxy)-N-phenyl-N-prop-2-enylpropanamide has a molecular weight of 299.35 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-phenyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 78852544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).