3-(2,3-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide

C18H20FNO3 — CID 9427530

IUPAC3-(2,3-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
SMILESCOc1cccc(CCC(=O)Nc2ccc(C)c(F)c2)c1OC
InChIInChI=1S/C18H20FNO3/c1-12-7-9-14(11-15(12)19)20-17(21)10-8-13-5-4-6-16(22-2)18(13)23-3/h4-7,9,11H,8,10H2,1-3H3,(H,20,21)
InChIKeyZSXLSUCPGABUAR-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.72
Rot. Bonds6

About 3-(2,3-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide

3-(2,3-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide (PubChem CID 9427530) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
PubChem CID9427530
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name3-(2,3-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
SMILESCOc1cccc(CCC(=O)Nc2ccc(C)c(F)c2)c1OC
InChIInChI=1S/C18H20FNO3/c1-12-7-9-14(11-15(12)19)20-17(21)10-8-13-5-4-6-16(22-2)18(13)23-3/h4-7,9,11H,8,10H2,1-3H3,(H,20,21)
InChIKeyZSXLSUCPGABUAR-UHFFFAOYSA-N
XLogP3.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-(2,3-dimethoxyphenyl)propanamide
CID 9404697
2-(2,6-dimethoxyphenoxy)-N-(3-fluoro-4-methylphenyl)acetamide
CID 7612589
3-(2,3-dimethoxyphenyl)-N-(3-methylsulfonylphenyl)propanamide
CID 9072555
3-(3-fluoro-4-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 46657771
3-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9215674
3-(2,3-dimethoxyphenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]propanamide
CID 9020974
3-(2,3-dimethoxyphenyl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide
CID 55815444
N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide
CID 668304
3-(2,3-dimethoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide
CID 55362952
3-(2,3-dimethoxyphenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide
CID 24563112
3-(2,3-dimethoxyphenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 18118791
3-(2,3-dimethoxyphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide
CID 9428782

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide (CID 9427530) is 3-(2,3-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide is COc1cccc(CCC(=O)Nc2ccc(C)c(F)c2)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide?
The InChIKey is ZSXLSUCPGABUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-12-7-9-14(11-15(12)19)20-17(21)10-8-13-5-4-6-16(22-2)18(13)23-3/h4-7,9,11H,8,10H2,1-3H3,(H,20,21).
What are the key properties of 3-(2,3-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide?
3-(2,3-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide has a molecular weight of 317.36 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide is sourced from PubChem (CID 9427530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).