2-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]acetamide

C17H15F4NO2 — CID 78808643

IUPAC2-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)Cc1ccc(OC(F)F)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H15F4NO2/c1-10(12-4-7-14(18)15(19)9-12)22-16(23)8-11-2-5-13(6-3-11)24-17(20)21/h2-7,9-10,17H,8H2,1H3,(H,22,23)
InChIKeyGSWDWAQAMLPXPQ-UHFFFAOYSA-N
MW341.30 g/mol
LogP3.99
Rot. Bonds6

About 2-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]acetamide

2-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]acetamide (PubChem CID 78808643) has the molecular formula C17H15F4NO2 and a molecular weight of 341.30 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]acetamide
PubChem CID78808643
Molecular FormulaC17H15F4NO2
Molecular Weight341.30 g/mol
Exact Mass341.10
IUPAC Name2-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)Cc1ccc(OC(F)F)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H15F4NO2/c1-10(12-4-7-14(18)15(19)9-12)22-16(23)8-11-2-5-13(6-3-11)24-17(20)21/h2-7,9-10,17H,8H2,1H3,(H,22,23)
InChIKeyGSWDWAQAMLPXPQ-UHFFFAOYSA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]propanamide
CID 86922906
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 51291188
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide
CID 112764194
N-[1-(3,4-difluorophenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 18084334
2-[4-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]phenyl]-N-propan-2-ylacetamide
CID 95624398
N-[1-(3,4-difluorophenyl)ethyl]-2-(2,4-dimethoxyphenyl)acetamide
CID 46418763
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 78778452
1-[3-(difluoromethoxy)phenyl]-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 47039459
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 9023731
N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 51175691
N-[1-(3,4-difluorophenyl)ethyl]butanamide
CID 60630405
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-fluorophenyl)acetamide
CID 42961600

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]acetamide (CID 78808643) is 2-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]acetamide is CC(NC(=O)Cc1ccc(OC(F)F)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]acetamide?
The InChIKey is GSWDWAQAMLPXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4NO2/c1-10(12-4-7-14(18)15(19)9-12)22-16(23)8-11-2-5-13(6-3-11)24-17(20)21/h2-7,9-10,17H,8H2,1H3,(H,22,23).
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]acetamide?
2-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]acetamide has a molecular weight of 341.30 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]acetamide is sourced from PubChem (CID 78808643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).