N-[6-(difluoromethoxy)-2,3-difluorophenyl]-N-methyl-2-phenylacetamide

C16H13F4NO2 — CID 69114960

IUPACN-[6-(difluoromethoxy)-2,3-difluorophenyl]-N-methyl-2-phenylacetamide
SMILESCN(C(=O)Cc1ccccc1)c1c(OC(F)F)ccc(F)c1F
InChIInChI=1S/C16H13F4NO2/c1-21(13(22)9-10-5-3-2-4-6-10)15-12(23-16(19)20)8-7-11(17)14(15)18/h2-8,16H,9H2,1H3
InChIKeyVHEROCLVAMMWME-UHFFFAOYSA-N
MW327.28 g/mol
LogP3.77
Rot. Bonds5

About N-[6-(difluoromethoxy)-2,3-difluorophenyl]-N-methyl-2-phenylacetamide

N-[6-(difluoromethoxy)-2,3-difluorophenyl]-N-methyl-2-phenylacetamide (PubChem CID 69114960) has the molecular formula C16H13F4NO2 and a molecular weight of 327.28 g/mol. Its IUPAC name is N-[6-(difluoromethoxy)-2,3-difluorophenyl]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound NameN-[6-(difluoromethoxy)-2,3-difluorophenyl]-N-methyl-2-phenylacetamide
PubChem CID69114960
Molecular FormulaC16H13F4NO2
Molecular Weight327.28 g/mol
Exact Mass327.09
IUPAC NameN-[6-(difluoromethoxy)-2,3-difluorophenyl]-N-methyl-2-phenylacetamide
SMILESCN(C(=O)Cc1ccccc1)c1c(OC(F)F)ccc(F)c1F
InChIInChI=1S/C16H13F4NO2/c1-21(13(22)9-10-5-3-2-4-6-10)15-12(23-16(19)20)8-7-11(17)14(15)18/h2-8,16H,9H2,1H3
InChIKeyVHEROCLVAMMWME-UHFFFAOYSA-N
XLogP3.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-difluorophenyl)-N-methyl-2-phenylacetamide
CID 67194482
1-[2-(difluoromethoxy)phenyl]-2-phenylethanone
CID 61079927
N-[amino-[6-(difluoromethoxy)-2-fluoro-3-methylphenyl]methylidene]-2-phenylacetamide
CID 142821883
2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl-methylamino]propanoic acid
CID 62639812
2-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)propanoic acid
CID 43803066
N'-acetyl-N,N'-dimethyl-2-phenylacetohydrazide
CID 15121331
2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid
CID 122101473
ethyl 2-amino-3-(difluoromethoxy)-6-fluorobenzoate
CID 171011065
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 55607654
4-(difluoromethoxy)-2,3-difluorobenzoic acid
CID 46311566
1-(difluoromethoxy)-2-ethyl-3,4-difluorobenzene
CID 131093585
[6-(difluoromethoxy)-2,3-difluorophenyl]methanamine
CID 130837574

Frequently Asked Questions

What is the IUPAC name of N-[6-(difluoromethoxy)-2,3-difluorophenyl]-N-methyl-2-phenylacetamide?
The IUPAC name of N-[6-(difluoromethoxy)-2,3-difluorophenyl]-N-methyl-2-phenylacetamide (CID 69114960) is N-[6-(difluoromethoxy)-2,3-difluorophenyl]-N-methyl-2-phenylacetamide.
What is the SMILES notation for N-[6-(difluoromethoxy)-2,3-difluorophenyl]-N-methyl-2-phenylacetamide?
The canonical SMILES for N-[6-(difluoromethoxy)-2,3-difluorophenyl]-N-methyl-2-phenylacetamide is CN(C(=O)Cc1ccccc1)c1c(OC(F)F)ccc(F)c1F.
What is the InChIKey of N-[6-(difluoromethoxy)-2,3-difluorophenyl]-N-methyl-2-phenylacetamide?
The InChIKey is VHEROCLVAMMWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4NO2/c1-21(13(22)9-10-5-3-2-4-6-10)15-12(23-16(19)20)8-7-11(17)14(15)18/h2-8,16H,9H2,1H3.
What are the key properties of N-[6-(difluoromethoxy)-2,3-difluorophenyl]-N-methyl-2-phenylacetamide?
N-[6-(difluoromethoxy)-2,3-difluorophenyl]-N-methyl-2-phenylacetamide has a molecular weight of 327.28 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(difluoromethoxy)-2,3-difluorophenyl]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 69114960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).