N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)propanamide

C17H18FNO3 — CID 27844760

IUPACN-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C17H18FNO3/c1-21-14-8-9-15(16(11-14)22-2)19-17(20)10-5-12-3-6-13(18)7-4-12/h3-4,6-9,11H,5,10H2,1-2H3,(H,19,20)
InChIKeyWWGIEPHRKVTOCW-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.41
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)propanamide

N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)propanamide (PubChem CID 27844760) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)propanamide
PubChem CID27844760
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC NameN-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C17H18FNO3/c1-21-14-8-9-15(16(11-14)22-2)19-17(20)10-5-12-3-6-13(18)7-4-12/h3-4,6-9,11H,5,10H2,1-2H3,(H,19,20)
InChIKeyWWGIEPHRKVTOCW-UHFFFAOYSA-N
XLogP3.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 26692146
3-(4-fluorophenyl)-N-(2,4,6-trimethoxyphenyl)propanamide
CID 110778529
N-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17173046
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide
CID 16876325
N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methylpropanamide
CID 48846730
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
3-[4-(benzylsulfamoyl)phenyl]-N-(2,4-dimethoxyphenyl)propanamide
CID 126237309
3-(2-bromo-4,5-dimethoxyphenyl)-N-(2,4-dimethoxyphenyl)propanamide
CID 1406234
N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide
CID 79019431
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 9478271
N-(2,4-dimethoxyphenyl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanamide
CID 51489549

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)propanamide (CID 27844760) is N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)propanamide is COc1ccc(NC(=O)CCc2ccc(F)cc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)propanamide?
The InChIKey is WWGIEPHRKVTOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-21-14-8-9-15(16(11-14)22-2)19-17(20)10-5-12-3-6-13(18)7-4-12/h3-4,6-9,11H,5,10H2,1-2H3,(H,19,20).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)propanamide?
N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)propanamide has a molecular weight of 303.33 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 27844760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).