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

C17H17F2NO — CID 51175691

IUPACN-[1-(3,4-difluorophenyl)ethyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C17H17F2NO/c1-11-5-3-4-6-13(11)10-17(21)20-12(2)14-7-8-15(18)16(19)9-14/h3-9,12H,10H2,1-2H3,(H,20,21)
InChIKeySVGUEHIUICJZOY-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.69
Rot. Bonds4

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

N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methylphenyl)acetamide (PubChem CID 51175691) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-2-(2-methylphenyl)acetamide
PubChem CID51175691
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C17H17F2NO/c1-11-5-3-4-6-13(11)10-17(21)20-12(2)14-7-8-15(18)16(19)9-14/h3-9,12H,10H2,1-2H3,(H,20,21)
InChIKeySVGUEHIUICJZOY-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide
CID 112764194
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide
CID 8638816
N-[1-(3,4-difluorophenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 18084334
N-[1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 47106591
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 51177669
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 78778452
N-[1-(3,4-difluorophenyl)ethyl]-3-phenylbutanamide
CID 43000604
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 7733439
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylsulfanylacetamide
CID 51150831
N-[1-(3,4-difluorophenyl)ethyl]butanamide
CID 60630405
N-[1-(3,4-difluorophenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 43000615
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8700805

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methylphenyl)acetamide (CID 51175691) is N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)NC(C)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methylphenyl)acetamide?
The InChIKey is SVGUEHIUICJZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-11-5-3-4-6-13(11)10-17(21)20-12(2)14-7-8-15(18)16(19)9-14/h3-9,12H,10H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methylphenyl)acetamide?
N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methylphenyl)acetamide has a molecular weight of 289.33 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 51175691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).