N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-ethoxyacetamide

C18H19F2NO3 — CID 134032534

IUPACN-[3-benzyl-4-(difluoromethoxy)phenyl]-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1
InChIInChI=1S/C18H19F2NO3/c1-2-23-12-17(22)21-15-8-9-16(24-18(19)20)14(11-15)10-13-6-4-3-5-7-13/h3-9,11,18H,2,10,12H2,1H3,(H,21,22)
InChIKeyUFHGRYPUIQZFBJ-UHFFFAOYSA-N
MW335.35 g/mol
LogP3.85
Rot. Bonds8

About N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-ethoxyacetamide

N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-ethoxyacetamide (PubChem CID 134032534) has the molecular formula C18H19F2NO3 and a molecular weight of 335.35 g/mol. Its IUPAC name is N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[3-benzyl-4-(difluoromethoxy)phenyl]-2-ethoxyacetamide
PubChem CID134032534
Molecular FormulaC18H19F2NO3
Molecular Weight335.35 g/mol
Exact Mass335.13
IUPAC NameN-[3-benzyl-4-(difluoromethoxy)phenyl]-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1
InChIInChI=1S/C18H19F2NO3/c1-2-23-12-17(22)21-15-8-9-16(24-18(19)20)14(11-15)10-13-6-4-3-5-7-13/h3-9,11,18H,2,10,12H2,1H3,(H,21,22)
InChIKeyUFHGRYPUIQZFBJ-UHFFFAOYSA-N
XLogP3.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)acetamide
CID 18288051
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 55607654
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(2,4-dimethoxyphenyl)acetamide
CID 18205374
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 24525173
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18207459
N-[3-benzyl-4-(difluoromethoxy)phenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18289944
N-[3-benzyl-4-(difluoromethoxy)phenyl]-1-methylpyrrole-2-carboxamide
CID 55447606
N-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide
CID 18228128
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-methylsulfonylbenzamide
CID 24624799
N-[3-benzyl-4-(difluoromethoxy)phenyl]-3-methylsulfonylbenzamide
CID 24525215
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 18274238
methyl 5-acetyl-2-[2-[3-benzyl-4-(difluoromethoxy)anilino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 166434895

Frequently Asked Questions

What is the IUPAC name of N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-ethoxyacetamide?
The IUPAC name of N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-ethoxyacetamide (CID 134032534) is N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-ethoxyacetamide?
The canonical SMILES for N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-ethoxyacetamide is CCOCC(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1.
What is the InChIKey of N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-ethoxyacetamide?
The InChIKey is UFHGRYPUIQZFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO3/c1-2-23-12-17(22)21-15-8-9-16(24-18(19)20)14(11-15)10-13-6-4-3-5-7-13/h3-9,11,18H,2,10,12H2,1H3,(H,21,22).
What are the key properties of N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-ethoxyacetamide?
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-ethoxyacetamide has a molecular weight of 335.35 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-ethoxyacetamide is sourced from PubChem (CID 134032534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).