N-[3-(difluoromethylsulfanyl)phenyl]-2-(methylamino)acetamide;hydrochloride

C10H13ClF2N2OS — CID 119770523

IUPACN-[3-(difluoromethylsulfanyl)phenyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)Nc1cccc(SC(F)F)c1.Cl
InChIInChI=1S/C10H12F2N2OS.ClH/c1-13-6-9(15)14-7-3-2-4-8(5-7)16-10(11)12;/h2-5,10,13H,6H2,1H3,(H,14,15);1H
InChIKeyHJNWKKXFIAEZDD-UHFFFAOYSA-N
MW282.74 g/mol
LogP2.58
Rot. Bonds5

About N-[3-(difluoromethylsulfanyl)phenyl]-2-(methylamino)acetamide;hydrochloride

N-[3-(difluoromethylsulfanyl)phenyl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 119770523) has the molecular formula C10H13ClF2N2OS and a molecular weight of 282.74 g/mol. Its IUPAC name is N-[3-(difluoromethylsulfanyl)phenyl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(difluoromethylsulfanyl)phenyl]-2-(methylamino)acetamide;hydrochloride
PubChem CID119770523
Molecular FormulaC10H13ClF2N2OS
Molecular Weight282.74 g/mol
Exact Mass282.04
IUPAC NameN-[3-(difluoromethylsulfanyl)phenyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)Nc1cccc(SC(F)F)c1.Cl
InChIInChI=1S/C10H12F2N2OS.ClH/c1-13-6-9(15)14-7-3-2-4-8(5-7)16-10(11)12;/h2-5,10,13H,6H2,1H3,(H,14,15);1H
InChIKeyHJNWKKXFIAEZDD-UHFFFAOYSA-N
XLogP2.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.74
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(difluoromethylsulfanyl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119770513
N-[3-(difluoromethylsulfanyl)phenyl]acetamide
CID 4963031
3-amino-N-[3-(difluoromethylsulfanyl)phenyl]propanamide
CID 119315962
4-[3-(difluoromethylsulfanyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133790
4-amino-N-[3-(difluoromethylsulfanyl)phenyl]-3-methoxybutanamide;hydrochloride
CID 120591461
4-amino-N-[3-(difluoromethylsulfanyl)phenyl]butanamide
CID 119315980
4-amino-N-[3-(difluoromethylsulfanyl)phenyl]-3-methoxybutanamide
CID 120591462
2-(methylamino)-N-[3-(2,2,2-trifluoroethyl)phenyl]acetamide;hydrochloride
CID 119801597
2-amino-N-[3-(difluoromethylsulfanyl)phenyl]-2-methylpentanamide
CID 119770554
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848
N-[3-(difluoromethylsulfanyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119770551
1-[3-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 72688028

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethylsulfanyl)phenyl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[3-(difluoromethylsulfanyl)phenyl]-2-(methylamino)acetamide;hydrochloride (CID 119770523) is N-[3-(difluoromethylsulfanyl)phenyl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[3-(difluoromethylsulfanyl)phenyl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[3-(difluoromethylsulfanyl)phenyl]-2-(methylamino)acetamide;hydrochloride is CNCC(=O)Nc1cccc(SC(F)F)c1.Cl.
What is the InChIKey of N-[3-(difluoromethylsulfanyl)phenyl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is HJNWKKXFIAEZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2OS.ClH/c1-13-6-9(15)14-7-3-2-4-8(5-7)16-10(11)12;/h2-5,10,13H,6H2,1H3,(H,14,15);1H.
What are the key properties of N-[3-(difluoromethylsulfanyl)phenyl]-2-(methylamino)acetamide;hydrochloride?
N-[3-(difluoromethylsulfanyl)phenyl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 282.74 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethylsulfanyl)phenyl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 119770523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).