3-(4-fluorophenyl)-N-(2,4,6-trimethoxyphenyl)propanamide

C18H20FNO4 — CID 110778529

IUPAC3-(4-fluorophenyl)-N-(2,4,6-trimethoxyphenyl)propanamide
SMILESCOc1cc(OC)c(NC(=O)CCc2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C18H20FNO4/c1-22-14-10-15(23-2)18(16(11-14)24-3)20-17(21)9-6-12-4-7-13(19)8-5-12/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,20,21)
InChIKeyPREAVGDEDICSGW-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.42
Rot. Bonds7

About 3-(4-fluorophenyl)-N-(2,4,6-trimethoxyphenyl)propanamide

3-(4-fluorophenyl)-N-(2,4,6-trimethoxyphenyl)propanamide (PubChem CID 110778529) has the molecular formula C18H20FNO4 and a molecular weight of 333.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(2,4,6-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(2,4,6-trimethoxyphenyl)propanamide
PubChem CID110778529
Molecular FormulaC18H20FNO4
Molecular Weight333.36 g/mol
Exact Mass333.14
IUPAC Name3-(4-fluorophenyl)-N-(2,4,6-trimethoxyphenyl)propanamide
SMILESCOc1cc(OC)c(NC(=O)CCc2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C18H20FNO4/c1-22-14-10-15(23-2)18(16(11-14)24-3)20-17(21)9-6-12-4-7-13(19)8-5-12/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,20,21)
InChIKeyPREAVGDEDICSGW-UHFFFAOYSA-N
XLogP3.42
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)propanamide
CID 27844760
N'-[2-(4-fluorophenoxy)acetyl]-3-(4-methoxyphenyl)propanehydrazide
CID 26929871
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
3-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)propanamide
CID 39089275
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 9478271
3-cyano-N-(2,4,6-trimethoxyphenyl)propanamide
CID 21469465
3-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 7741638
N-(2,4-dimethoxyphenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 26692146
3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 43030428
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-(4-fluorophenyl)propanamide
CID 100573365
3-(3,4-dimethoxyphenyl)-N-[6-(4-fluoroanilino)pyridazin-3-yl]propanamide
CID 113047289
N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide
CID 16876325

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(2,4,6-trimethoxyphenyl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(2,4,6-trimethoxyphenyl)propanamide (CID 110778529) is 3-(4-fluorophenyl)-N-(2,4,6-trimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(2,4,6-trimethoxyphenyl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(2,4,6-trimethoxyphenyl)propanamide is COc1cc(OC)c(NC(=O)CCc2ccc(F)cc2)c(OC)c1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(2,4,6-trimethoxyphenyl)propanamide?
The InChIKey is PREAVGDEDICSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4/c1-22-14-10-15(23-2)18(16(11-14)24-3)20-17(21)9-6-12-4-7-13(19)8-5-12/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,20,21).
What are the key properties of 3-(4-fluorophenyl)-N-(2,4,6-trimethoxyphenyl)propanamide?
3-(4-fluorophenyl)-N-(2,4,6-trimethoxyphenyl)propanamide has a molecular weight of 333.36 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(2,4,6-trimethoxyphenyl)propanamide is sourced from PubChem (CID 110778529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).