N-(2,5-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide

C18H19F2NO4 — CID 2711396

IUPACN-(2,5-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2cc(F)ccc2F)cc(OC)c1OC
InChIInChI=1S/C18H19F2NO4/c1-23-15-8-11(9-16(24-2)18(15)25-3)4-7-17(22)21-14-10-12(19)5-6-13(14)20/h5-6,8-10H,4,7H2,1-3H3,(H,21,22)
InChIKeyWBTDJLXGAPUFJX-UHFFFAOYSA-N
MW351.35 g/mol
LogP3.56
Rot. Bonds7

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

N-(2,5-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 2711396) has the molecular formula C18H19F2NO4 and a molecular weight of 351.35 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID2711396
Molecular FormulaC18H19F2NO4
Molecular Weight351.35 g/mol
Exact Mass351.13
IUPAC NameN-(2,5-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2cc(F)ccc2F)cc(OC)c1OC
InChIInChI=1S/C18H19F2NO4/c1-23-15-8-11(9-16(24-2)18(15)25-3)4-7-17(22)21-14-10-12(19)5-6-13(14)20/h5-6,8-10H,4,7H2,1-3H3,(H,21,22)
InChIKeyWBTDJLXGAPUFJX-UHFFFAOYSA-N
XLogP3.56
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,5-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2710290
N-(3-chloro-4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2683148
N-(2-aminophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 119422110
N-[2-(difluoromethoxy)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 8019876
3-(2,5-difluorophenyl)-N-(2-fluoro-4,5-dimethoxyphenyl)propanamide
CID 56782937
3-(3-chloro-4,5-dimethoxyphenyl)-N-(2,4-dichlorophenyl)propanamide
CID 51057579
N-(2-hydroxy-4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9495575
N-(2,5-difluorophenyl)-2-(4-fluoro-2-methoxyanilino)acetamide
CID 34082938
methyl 4-methyl-3-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzoate
CID 2673308
N-[2,5-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide
CID 24570959
3-fluoro-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide
CID 46487241
N-(3-acetamido-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 33307641

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-(2,5-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide (CID 2711396) is N-(2,5-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-(2,5-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)Nc2cc(F)ccc2F)cc(OC)c1OC.
What is the InChIKey of N-(2,5-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is WBTDJLXGAPUFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO4/c1-23-15-8-11(9-16(24-2)18(15)25-3)4-7-17(22)21-14-10-12(19)5-6-13(14)20/h5-6,8-10H,4,7H2,1-3H3,(H,21,22).
What are the key properties of N-(2,5-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
N-(2,5-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 351.35 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 2711396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).