3-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)propanamide

C17H17F2NO3 — CID 39089275

IUPAC3-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCc2ccc(F)c(F)c2)cc(OC)c1
InChIInChI=1S/C17H17F2NO3/c1-22-13-8-12(9-14(10-13)23-2)20-17(21)6-4-11-3-5-15(18)16(19)7-11/h3,5,7-10H,4,6H2,1-2H3,(H,20,21)
InChIKeyFSSFXMLMKSRJJF-UHFFFAOYSA-N
MW321.32 g/mol
LogP3.55
Rot. Bonds6

About 3-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)propanamide

3-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)propanamide (PubChem CID 39089275) has the molecular formula C17H17F2NO3 and a molecular weight of 321.32 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)propanamide
PubChem CID39089275
Molecular FormulaC17H17F2NO3
Molecular Weight321.32 g/mol
Exact Mass321.12
IUPAC Name3-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCc2ccc(F)c(F)c2)cc(OC)c1
InChIInChI=1S/C17H17F2NO3/c1-22-13-8-12(9-14(10-13)23-2)20-17(21)6-4-11-3-5-15(18)16(19)7-11/h3,5,7-10H,4,6H2,1-2H3,(H,20,21)
InChIKeyFSSFXMLMKSRJJF-UHFFFAOYSA-N
XLogP3.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 39089240
N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)propanamide
CID 51276940
N-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 26688109
3-(3,5-dimethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)propanamide
CID 9076945
N-(2-acetamido-4,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 51132483
3-(4-fluorophenyl)-N-(2,4,6-trimethoxyphenyl)propanamide
CID 110778529
N-(5-acetamido-2-fluorophenyl)-3-(3,4-difluorophenyl)propanamide
CID 46686963
3-(3,4-difluorophenyl)-N-(2-methoxyethoxy)propanamide
CID 79676471
3-(3,4-difluorophenyl)-N-(4-sulfamoylphenyl)propanamide
CID 160701153
3-(3-fluoro-4-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 46657771
3-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 7741638
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 134051690

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)propanamide (CID 39089275) is 3-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)propanamide is COc1cc(NC(=O)CCc2ccc(F)c(F)c2)cc(OC)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)propanamide?
The InChIKey is FSSFXMLMKSRJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO3/c1-22-13-8-12(9-14(10-13)23-2)20-17(21)6-4-11-3-5-15(18)16(19)7-11/h3,5,7-10H,4,6H2,1-2H3,(H,20,21).
What are the key properties of 3-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)propanamide?
3-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)propanamide has a molecular weight of 321.32 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 39089275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).