N-(2,5-dimethylphenyl)-3-(4-fluorophenoxy)propanamide

C17H18FNO2 — CID 31847881

IUPACN-(2,5-dimethylphenyl)-3-(4-fluorophenoxy)propanamide
SMILESCc1ccc(C)c(NC(=O)CCOc2ccc(F)cc2)c1
InChIInChI=1S/C17H18FNO2/c1-12-3-4-13(2)16(11-12)19-17(20)9-10-21-15-7-5-14(18)6-8-15/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyZIRVYOIBNWEAIU-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.85
Rot. Bonds5

About N-(2,5-dimethylphenyl)-3-(4-fluorophenoxy)propanamide

N-(2,5-dimethylphenyl)-3-(4-fluorophenoxy)propanamide (PubChem CID 31847881) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-(4-fluorophenoxy)propanamide
PubChem CID31847881
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC NameN-(2,5-dimethylphenyl)-3-(4-fluorophenoxy)propanamide
SMILESCc1ccc(C)c(NC(=O)CCOc2ccc(F)cc2)c1
InChIInChI=1S/C17H18FNO2/c1-12-3-4-13(2)16(11-12)19-17(20)9-10-21-15-7-5-14(18)6-8-15/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyZIRVYOIBNWEAIU-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluoro-4-methylphenyl)-3-(4-fluorophenoxy)propanamide
CID 31893094
3-(3,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)propanamide
CID 35504455
3-(4-tert-butylphenoxy)-N-(5-fluoro-2-methylphenyl)propanamide
CID 18208025
N-(2,5-dimethylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7991934
3-(2,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 26909495
3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide
CID 31855578
3-(4-fluorophenoxy)-N-(4-methyl-2-pyridinyl)propanamide
CID 47351806
4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide
CID 86919949
N-(2,5-dimethylphenyl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 8702322
N-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 808300
3-(4-fluorophenoxy)-N-(2-fluorophenyl)propanamide
CID 38765188
2-(4-fluorophenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 894086

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-(4-fluorophenoxy)propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-(4-fluorophenoxy)propanamide (CID 31847881) is N-(2,5-dimethylphenyl)-3-(4-fluorophenoxy)propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-(4-fluorophenoxy)propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-(4-fluorophenoxy)propanamide is Cc1ccc(C)c(NC(=O)CCOc2ccc(F)cc2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-(4-fluorophenoxy)propanamide?
The InChIKey is ZIRVYOIBNWEAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-12-3-4-13(2)16(11-12)19-17(20)9-10-21-15-7-5-14(18)6-8-15/h3-8,11H,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-(2,5-dimethylphenyl)-3-(4-fluorophenoxy)propanamide?
N-(2,5-dimethylphenyl)-3-(4-fluorophenoxy)propanamide has a molecular weight of 287.33 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 31847881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).