N-[(4-fluorophenyl)methyl]-2-(2-methoxyphenoxy)-N-prop-2-enylpropanamide

C20H22FNO3 — CID 46982089

IUPACN-[(4-fluorophenyl)methyl]-2-(2-methoxyphenoxy)-N-prop-2-enylpropanamide
SMILESC=CCN(Cc1ccc(F)cc1)C(=O)C(C)Oc1ccccc1OC
InChIInChI=1S/C20H22FNO3/c1-4-13-22(14-16-9-11-17(21)12-10-16)20(23)15(2)25-19-8-6-5-7-18(19)24-3/h4-12,15H,1,13-14H2,2-3H3
InChIKeyIDSRVOBFJLERTL-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.82
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-2-(2-methoxyphenoxy)-N-prop-2-enylpropanamide

N-[(4-fluorophenyl)methyl]-2-(2-methoxyphenoxy)-N-prop-2-enylpropanamide (PubChem CID 46982089) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(2-methoxyphenoxy)-N-prop-2-enylpropanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(2-methoxyphenoxy)-N-prop-2-enylpropanamide
PubChem CID46982089
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(2-methoxyphenoxy)-N-prop-2-enylpropanamide
SMILESC=CCN(Cc1ccc(F)cc1)C(=O)C(C)Oc1ccccc1OC
InChIInChI=1S/C20H22FNO3/c1-4-13-22(14-16-9-11-17(21)12-10-16)20(23)15(2)25-19-8-6-5-7-18(19)24-3/h4-12,15H,1,13-14H2,2-3H3
InChIKeyIDSRVOBFJLERTL-UHFFFAOYSA-N
XLogP3.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2-methoxyphenoxy)-N-prop-2-enylpropanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2-methoxyphenoxy)-N-prop-2-enylpropanamide (CID 46982089) is N-[(4-fluorophenyl)methyl]-2-(2-methoxyphenoxy)-N-prop-2-enylpropanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(2-methoxyphenoxy)-N-prop-2-enylpropanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(2-methoxyphenoxy)-N-prop-2-enylpropanamide is C=CCN(Cc1ccc(F)cc1)C(=O)C(C)Oc1ccccc1OC.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(2-methoxyphenoxy)-N-prop-2-enylpropanamide?
The InChIKey is IDSRVOBFJLERTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3/c1-4-13-22(14-16-9-11-17(21)12-10-16)20(23)15(2)25-19-8-6-5-7-18(19)24-3/h4-12,15H,1,13-14H2,2-3H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(2-methoxyphenoxy)-N-prop-2-enylpropanamide?
N-[(4-fluorophenyl)methyl]-2-(2-methoxyphenoxy)-N-prop-2-enylpropanamide has a molecular weight of 343.40 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(2-methoxyphenoxy)-N-prop-2-enylpropanamide is sourced from PubChem (CID 46982089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).