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

C18H20FNO3 — CID 9215674

IUPAC3-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(C)c(F)c2)cc1OC
InChIInChI=1S/C18H20FNO3/c1-12-4-7-14(11-15(12)19)20-18(21)9-6-13-5-8-16(22-2)17(10-13)23-3/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,20,21)
InChIKeyCQDHUCCJPAHFBD-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.72
Rot. Bonds6

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

3-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide (PubChem CID 9215674) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
PubChem CID9215674
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(C)c(F)c2)cc1OC
InChIInChI=1S/C18H20FNO3/c1-12-4-7-14(11-15(12)19)20-18(21)9-6-13-5-8-16(22-2)17(10-13)23-3/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,20,21)
InChIKeyCQDHUCCJPAHFBD-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

3-(3-fluoro-4-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 46657771
N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 8759873
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19220838
N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide
CID 668304
1-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)urea
CID 971209
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 8721137
3-(3-aminophenyl)-N-(3-fluoro-4-methoxyphenyl)propanamide
CID 43381050
N-(3,4-dimethoxyphenyl)-3-(4-ethylphenyl)propanamide
CID 41453982
3-(2,3-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9427530
3-(3,4-dimethoxyphenyl)-N-(4-phenylphenyl)propanamide
CID 8880797
N-(4-bromo-3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28580588
N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 19220649

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide (CID 9215674) is 3-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide is COc1ccc(CCC(=O)Nc2ccc(C)c(F)c2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide?
The InChIKey is CQDHUCCJPAHFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-12-4-7-14(11-15(12)19)20-18(21)9-6-13-5-8-16(22-2)17(10-13)23-3/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,20,21).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide?
3-(3,4-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-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide is sourced from PubChem (CID 9215674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).