N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(2,4-dimethoxyphenyl)acetamide

C24H23F2NO4 — CID 18205374

IUPACN-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)c(OC)c1
InChIInChI=1S/C24H23F2NO4/c1-29-20-10-8-17(22(15-20)30-2)14-23(28)27-19-9-11-21(31-24(25)26)18(13-19)12-16-6-4-3-5-7-16/h3-11,13,15,24H,12,14H2,1-2H3,(H,27,28)
InChIKeyAFWVXTIZNVYLNH-UHFFFAOYSA-N
MW427.45 g/mol
LogP5.08
Rot. Bonds9

About N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(2,4-dimethoxyphenyl)acetamide

N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(2,4-dimethoxyphenyl)acetamide (PubChem CID 18205374) has the molecular formula C24H23F2NO4 and a molecular weight of 427.45 g/mol. Its IUPAC name is N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(2,4-dimethoxyphenyl)acetamide
PubChem CID18205374
Molecular FormulaC24H23F2NO4
Molecular Weight427.45 g/mol
Exact Mass427.16
IUPAC NameN-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)c(OC)c1
InChIInChI=1S/C24H23F2NO4/c1-29-20-10-8-17(22(15-20)30-2)14-23(28)27-19-9-11-21(31-24(25)26)18(13-19)12-16-6-4-3-5-7-16/h3-11,13,15,24H,12,14H2,1-2H3,(H,27,28)
InChIKeyAFWVXTIZNVYLNH-UHFFFAOYSA-N
XLogP5.08
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.45
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-2-(2,4-dimethoxyphenyl)acetamide
CID 9427797
N-(3-benzyl-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 27038651
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)acetamide
CID 18288051
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-ethoxyacetamide
CID 134032534
2-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)acetamide
CID 9403807
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 55607654
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78804386
N-[3-[[3-benzyl-4-(difluoromethoxy)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide
CID 25352955
N-(3-benzyl-4-methoxyphenyl)-2-(3-fluorophenyl)acetamide
CID 24571190
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18207459
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 24525173
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(4-phenylphenyl)acetamide
CID 46540426

Frequently Asked Questions

What is the IUPAC name of N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(2,4-dimethoxyphenyl)acetamide (CID 18205374) is N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(2,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)c(OC)c1.
What is the InChIKey of N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is AFWVXTIZNVYLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2NO4/c1-29-20-10-8-17(22(15-20)30-2)14-23(28)27-19-9-11-21(31-24(25)26)18(13-19)12-16-6-4-3-5-7-16/h3-11,13,15,24H,12,14H2,1-2H3,(H,27,28).
What are the key properties of N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(2,4-dimethoxyphenyl)acetamide?
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 427.45 g/mol, XLogP of 5.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 18205374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).