N-(2,4-difluorophenyl)-4-(3,4-dimethoxyphenyl)butanamide

C18H19F2NO3 — CID 110426742

IUPACN-(2,4-difluorophenyl)-4-(3,4-dimethoxyphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)Nc2ccc(F)cc2F)cc1OC
InChIInChI=1S/C18H19F2NO3/c1-23-16-9-6-12(10-17(16)24-2)4-3-5-18(22)21-15-8-7-13(19)11-14(15)20/h6-11H,3-5H2,1-2H3,(H,21,22)
InChIKeyPQAWRGVZKNIEGR-UHFFFAOYSA-N
MW335.35 g/mol
LogP3.94
Rot. Bonds7

About N-(2,4-difluorophenyl)-4-(3,4-dimethoxyphenyl)butanamide

N-(2,4-difluorophenyl)-4-(3,4-dimethoxyphenyl)butanamide (PubChem CID 110426742) has the molecular formula C18H19F2NO3 and a molecular weight of 335.35 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-(3,4-dimethoxyphenyl)butanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-(3,4-dimethoxyphenyl)butanamide
PubChem CID110426742
Molecular FormulaC18H19F2NO3
Molecular Weight335.35 g/mol
Exact Mass335.13
IUPAC NameN-(2,4-difluorophenyl)-4-(3,4-dimethoxyphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)Nc2ccc(F)cc2F)cc1OC
InChIInChI=1S/C18H19F2NO3/c1-23-16-9-6-12(10-17(16)24-2)4-3-5-18(22)21-15-8-7-13(19)11-14(15)20/h6-11H,3-5H2,1-2H3,(H,21,22)
InChIKeyPQAWRGVZKNIEGR-UHFFFAOYSA-N
XLogP3.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide
CID 109027869
N'-(2,4-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanediamide
CID 108949762
N-[2-(2,4-difluoroanilino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113000840
1-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 883790
N-(4-acetamidophenyl)-4-(3,4-dimethoxyphenyl)butanamide
CID 110423899
4-(3,4-dimethoxyphenyl)-N'-methylbutanehydrazide
CID 116846469
N-(2,4-difluorophenyl)-3-(2-methoxyanilino)propanamide
CID 109039452
1-(2,4-difluorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]thiourea
CID 17297638
N-(2,4-difluorophenyl)-2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]acetamide
CID 126204503
N-(2,4-difluorophenyl)hexanamide
CID 3484261
N-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide
CID 110673847
N-(2,4-difluorophenyl)-3,4-dimethoxybenzamide
CID 966752

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-(3,4-dimethoxyphenyl)butanamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-(3,4-dimethoxyphenyl)butanamide (CID 110426742) is N-(2,4-difluorophenyl)-4-(3,4-dimethoxyphenyl)butanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-(3,4-dimethoxyphenyl)butanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-(3,4-dimethoxyphenyl)butanamide is COc1ccc(CCCC(=O)Nc2ccc(F)cc2F)cc1OC.
What is the InChIKey of N-(2,4-difluorophenyl)-4-(3,4-dimethoxyphenyl)butanamide?
The InChIKey is PQAWRGVZKNIEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO3/c1-23-16-9-6-12(10-17(16)24-2)4-3-5-18(22)21-15-8-7-13(19)11-14(15)20/h6-11H,3-5H2,1-2H3,(H,21,22).
What are the key properties of N-(2,4-difluorophenyl)-4-(3,4-dimethoxyphenyl)butanamide?
N-(2,4-difluorophenyl)-4-(3,4-dimethoxyphenyl)butanamide has a molecular weight of 335.35 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-(3,4-dimethoxyphenyl)butanamide is sourced from PubChem (CID 110426742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).