3-(3-fluoro-4-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide

C17H17F2NO2 — CID 46657771

IUPAC3-(3-fluoro-4-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(C)c(F)c2)cc1F
InChIInChI=1S/C17H17F2NO2/c1-11-3-6-13(10-14(11)18)20-17(21)8-5-12-4-7-16(22-2)15(19)9-12/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,20,21)
InChIKeyJGLLMSPTVHDOKS-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.85
Rot. Bonds5

About 3-(3-fluoro-4-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide

3-(3-fluoro-4-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide (PubChem CID 46657771) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
PubChem CID46657771
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(C)c(F)c2)cc1F
InChIInChI=1S/C17H17F2NO2/c1-11-3-6-13(10-14(11)18)20-17(21)8-5-12-4-7-16(22-2)15(19)9-12/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,20,21)
InChIKeyJGLLMSPTVHDOKS-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9215674
3-(3-aminophenyl)-N-(3-fluoro-4-methoxyphenyl)propanamide
CID 43381050
N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide
CID 668304
3-(2,3-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9427530
N-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 110776473
2-(4-aminophenyl)-N-(3-fluoro-4-methoxyphenyl)acetamide
CID 43380396
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19220838
N-(3-aminopropyl)-3-(3-fluoro-4-methoxyphenyl)propanamide;hydrochloride
CID 119405460
3-(4-methoxy-3-methylphenyl)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 100559042
3-(3-fluoro-4-methoxyphenyl)propanoic acid;propanedioic acid
CID 67624266
1-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)urea
CID 971209
3-(3-fluoro-4-methoxyphenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430182

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide (CID 46657771) is 3-(3-fluoro-4-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide is COc1ccc(CCC(=O)Nc2ccc(C)c(F)c2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide?
The InChIKey is JGLLMSPTVHDOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2/c1-11-3-6-13(10-14(11)18)20-17(21)8-5-12-4-7-16(22-2)15(19)9-12/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,20,21).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide?
3-(3-fluoro-4-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide has a molecular weight of 305.32 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 3-(3-fluoro-4-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide is sourced from PubChem (CID 46657771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).