3-(2,5-difluorophenyl)-N-(2-fluoro-4,5-dimethoxyphenyl)propanamide

C17H16F3NO3 — CID 56782937

IUPAC3-(2,5-difluorophenyl)-N-(2-fluoro-4,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(F)c(NC(=O)CCc2cc(F)ccc2F)cc1OC
InChIInChI=1S/C17H16F3NO3/c1-23-15-8-13(20)14(9-16(15)24-2)21-17(22)6-3-10-7-11(18)4-5-12(10)19/h4-5,7-9H,3,6H2,1-2H3,(H,21,22)
InChIKeyJNYNDPAQCCFTGZ-UHFFFAOYSA-N
MW339.31 g/mol
LogP3.69
Rot. Bonds6

About 3-(2,5-difluorophenyl)-N-(2-fluoro-4,5-dimethoxyphenyl)propanamide

3-(2,5-difluorophenyl)-N-(2-fluoro-4,5-dimethoxyphenyl)propanamide (PubChem CID 56782937) has the molecular formula C17H16F3NO3 and a molecular weight of 339.31 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-N-(2-fluoro-4,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-N-(2-fluoro-4,5-dimethoxyphenyl)propanamide
PubChem CID56782937
Molecular FormulaC17H16F3NO3
Molecular Weight339.31 g/mol
Exact Mass339.11
IUPAC Name3-(2,5-difluorophenyl)-N-(2-fluoro-4,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(F)c(NC(=O)CCc2cc(F)ccc2F)cc1OC
InChIInChI=1S/C17H16F3NO3/c1-23-15-8-13(20)14(9-16(15)24-2)21-17(22)6-3-10-7-11(18)4-5-12(10)19/h4-5,7-9H,3,6H2,1-2H3,(H,21,22)
InChIKeyJNYNDPAQCCFTGZ-UHFFFAOYSA-N
XLogP3.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2711396
N-[2-(difluoromethoxy)phenyl]-3-(2,5-difluorophenyl)propanamide
CID 60564257
N-[4-[3-(2,5-difluorophenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 52734652
N-(2-bromo-4-methylphenyl)-3-(2,5-difluorophenyl)propanamide
CID 60564533
2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)acetamide
CID 119320405
4-[3-(2,5-difluorophenyl)propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 55996525
N-(2,4-difluorophenyl)-4-(3,4-dimethoxyphenyl)butanamide
CID 110426742
3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-bromo-2-fluorophenyl)propanamide
CID 53267572
N-(2-chloro-4,5-dimethoxyphenyl)-3-(2-methoxyphenyl)propanamide
CID 17461303
3-amino-N-(2,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride
CID 119340315
N-(1-amino-2-methylpropan-2-yl)-3-(2,5-difluorophenyl)propanamide
CID 119524062
N-(2,5-difluorophenyl)-2-(4-fluoro-2-methoxyanilino)acetamide
CID 34082938

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-N-(2-fluoro-4,5-dimethoxyphenyl)propanamide?
The IUPAC name of 3-(2,5-difluorophenyl)-N-(2-fluoro-4,5-dimethoxyphenyl)propanamide (CID 56782937) is 3-(2,5-difluorophenyl)-N-(2-fluoro-4,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(2,5-difluorophenyl)-N-(2-fluoro-4,5-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-(2,5-difluorophenyl)-N-(2-fluoro-4,5-dimethoxyphenyl)propanamide is COc1cc(F)c(NC(=O)CCc2cc(F)ccc2F)cc1OC.
What is the InChIKey of 3-(2,5-difluorophenyl)-N-(2-fluoro-4,5-dimethoxyphenyl)propanamide?
The InChIKey is JNYNDPAQCCFTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO3/c1-23-15-8-13(20)14(9-16(15)24-2)21-17(22)6-3-10-7-11(18)4-5-12(10)19/h4-5,7-9H,3,6H2,1-2H3,(H,21,22).
What are the key properties of 3-(2,5-difluorophenyl)-N-(2-fluoro-4,5-dimethoxyphenyl)propanamide?
3-(2,5-difluorophenyl)-N-(2-fluoro-4,5-dimethoxyphenyl)propanamide has a molecular weight of 339.31 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-N-(2-fluoro-4,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 56782937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).