N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-(methylamino)acetamide

C11H13F3N2OS — CID 119795114

IUPACN-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1cc(F)ccc1SCC(F)F
InChIInChI=1S/C11H13F3N2OS/c1-15-5-11(17)16-8-4-7(12)2-3-9(8)18-6-10(13)14/h2-4,10,15H,5-6H2,1H3,(H,16,17)
InChIKeyYTNLVHMAOLMJJY-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.34
Rot. Bonds6

About N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-(methylamino)acetamide

N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-(methylamino)acetamide (PubChem CID 119795114) has the molecular formula C11H13F3N2OS and a molecular weight of 278.30 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-(methylamino)acetamide
PubChem CID119795114
Molecular FormulaC11H13F3N2OS
Molecular Weight278.30 g/mol
Exact Mass278.07
IUPAC NameN-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1cc(F)ccc1SCC(F)F
InChIInChI=1S/C11H13F3N2OS/c1-15-5-11(17)16-8-4-7(12)2-3-9(8)18-6-10(13)14/h2-4,10,15H,5-6H2,1H3,(H,16,17)
InChIKeyYTNLVHMAOLMJJY-UHFFFAOYSA-N
XLogP2.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]heptanamide
CID 119795100
2-amino-N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]pentanamide;hydrochloride
CID 119330052
N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015903
1-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111474919
N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-thiomorpholin-3-ylacetamide
CID 119939533
1-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437801
N-(5-fluoro-2-nitrophenyl)-2-(methylamino)acetamide
CID 78914527
N-[2-(2,2-difluoroethylsulfanyl)-5-(trifluoromethyl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119795133
1-(2-cyanoethyl)-1-cyclopropyl-3-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]urea
CID 71992086
2-(2-aminoethyl)-N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-1,3-thiazole-4-carboxamide
CID 120634539
4-amino-N-[2-(2,2-difluoroethylsulfanyl)-5-(trifluoromethyl)phenyl]pentanamide
CID 120563046
4-fluoro-2-[[2-(propan-2-ylamino)acetyl]amino]benzoic acid
CID 61157031

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-(methylamino)acetamide?
The IUPAC name of N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-(methylamino)acetamide (CID 119795114) is N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-(methylamino)acetamide is CNCC(=O)Nc1cc(F)ccc1SCC(F)F.
What is the InChIKey of N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-(methylamino)acetamide?
The InChIKey is YTNLVHMAOLMJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2OS/c1-15-5-11(17)16-8-4-7(12)2-3-9(8)18-6-10(13)14/h2-4,10,15H,5-6H2,1H3,(H,16,17).
What are the key properties of N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-(methylamino)acetamide?
N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-(methylamino)acetamide has a molecular weight of 278.30 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-(methylamino)acetamide is sourced from PubChem (CID 119795114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).