N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide

C13H16ClF3N2O3S — CID 113147795

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C13H16ClF3N2O3S/c1-8(2)19(23(3,21)22)7-12(20)18-11-6-9(13(15,16)17)4-5-10(11)14/h4-6,8H,7H2,1-3H3,(H,18,20)
InChIKeyGSMSYDJSXNFDOF-UHFFFAOYSA-N
MW372.80 g/mol
LogP2.97
Rot. Bonds5

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide (PubChem CID 113147795) has the molecular formula C13H16ClF3N2O3S and a molecular weight of 372.80 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide
PubChem CID113147795
Molecular FormulaC13H16ClF3N2O3S
Molecular Weight372.80 g/mol
Exact Mass372.05
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C13H16ClF3N2O3S/c1-8(2)19(23(3,21)22)7-12(20)18-11-6-9(13(15,16)17)4-5-10(11)14/h4-6,8H,7H2,1-3H3,(H,18,20)
InChIKeyGSMSYDJSXNFDOF-UHFFFAOYSA-N
XLogP2.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.80
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 126132614
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30268924
2-[benzenesulfonyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 1315546
2-[acetyl(tert-butyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113166205
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8711935
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 45375126
2-[acetyl(1-phenylethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113162087
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(1S,2S)-2-methylsulfonylcyclohexyl]amino]acetamide
CID 96522124
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl-[(1S,2R)-2-methylsulfonylcyclohexyl]amino]acetamide
CID 124866260
2-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 109006150
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 92664037
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
CID 30268918

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide (CID 113147795) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide is CC(C)N(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide?
The InChIKey is GSMSYDJSXNFDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O3S/c1-8(2)19(23(3,21)22)7-12(20)18-11-6-9(13(15,16)17)4-5-10(11)14/h4-6,8H,7H2,1-3H3,(H,18,20).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide has a molecular weight of 372.80 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 113147795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).