N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide

C15H15F2NOS — CID 134026968

IUPACN-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide
SMILESCC(c1ccc(F)c(F)c1)N(C)C(=O)Cc1cccs1
InChIInChI=1S/C15H15F2NOS/c1-10(11-5-6-13(16)14(17)8-11)18(2)15(19)9-12-4-3-7-20-12/h3-8,10H,9H2,1-2H3
InChIKeyAFYYHWNTMASGOR-UHFFFAOYSA-N
MW295.35 g/mol
LogP3.79
Rot. Bonds4

About N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide

N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide (PubChem CID 134026968) has the molecular formula C15H15F2NOS and a molecular weight of 295.35 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide
PubChem CID134026968
Molecular FormulaC15H15F2NOS
Molecular Weight295.35 g/mol
Exact Mass295.08
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide
SMILESCC(c1ccc(F)c(F)c1)N(C)C(=O)Cc1cccs1
InChIInChI=1S/C15H15F2NOS/c1-10(11-5-6-13(16)14(17)8-11)18(2)15(19)9-12-4-3-7-20-12/h3-8,10H,9H2,1-2H3
InChIKeyAFYYHWNTMASGOR-UHFFFAOYSA-N
XLogP3.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 46511782
N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 39976465
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 42945980
N-methyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 95342586
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 54913397
2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-[1-(3,4-difluorophenyl)ethyl]-N-methylacetamide
CID 78900392
N-[1-(3,4-difluorophenyl)ethyl]-N-methylhexanamide
CID 86918334
3-(2-bromophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide
CID 55832375
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 51955974
1-(3,4-difluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanol
CID 110897675
3-(2-aminophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 120608510
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(2-methylpropylsulfonyl)acetamide
CID 86993538

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide (CID 134026968) is N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide is CC(c1ccc(F)c(F)c1)N(C)C(=O)Cc1cccs1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide?
The InChIKey is AFYYHWNTMASGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NOS/c1-10(11-5-6-13(16)14(17)8-11)18(2)15(19)9-12-4-3-7-20-12/h3-8,10H,9H2,1-2H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide?
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide has a molecular weight of 295.35 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 134026968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).