3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide

C17H18FNO2 — CID 43030428

IUPAC3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)CCc2ccc(F)cc2)c1
InChIInChI=1S/C17H18FNO2/c1-21-16-4-2-3-14(11-16)12-19-17(20)10-7-13-5-8-15(18)9-6-13/h2-6,8-9,11H,7,10,12H2,1H3,(H,19,20)
InChIKeyCSXQWSJODUNOIB-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.08
Rot. Bonds6

About 3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide

3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide (PubChem CID 43030428) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
PubChem CID43030428
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)CCc2ccc(F)cc2)c1
InChIInChI=1S/C17H18FNO2/c1-21-16-4-2-3-14(11-16)12-19-17(20)10-7-13-5-8-15(18)9-6-13/h2-6,8-9,11H,7,10,12H2,1H3,(H,19,20)
InChIKeyCSXQWSJODUNOIB-UHFFFAOYSA-N
XLogP3.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methoxyphenyl)methyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 47007299
N'-[(4-fluorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108946382
3-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide
CID 110663372
3-(4-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide
CID 63311405
3-(1H-indol-6-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 71840754
N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 107023733
3-[[3-(3-methoxyphenyl)propanoylamino]methyl]-N,N-dimethylbenzamide
CID 46401457
1-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108867745
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 7650921
N-[2-(4-fluorophenyl)ethyl]-3-(3-methoxyanilino)propanamide
CID 109025014
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4782159

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide (CID 43030428) is 3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide is COc1cccc(CNC(=O)CCc2ccc(F)cc2)c1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide?
The InChIKey is CSXQWSJODUNOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-21-16-4-2-3-14(11-16)12-19-17(20)10-7-13-5-8-15(18)9-6-13/h2-6,8-9,11H,7,10,12H2,1H3,(H,19,20).
What are the key properties of 3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide?
3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide has a molecular weight of 287.33 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 43030428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).