N-phenylacetamide;trifluoromethanesulfonamide

C9H11F3N2O3S — CID 174361044

IUPACN-phenylacetamide;trifluoromethanesulfonamide
SMILESCC(=O)Nc1ccccc1.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H9NO.CH2F3NO2S/c1-7(10)9-8-5-3-2-4-6-8;2-1(3,4)8(5,6)7/h2-6H,1H3,(H,9,10);(H2,5,6,7)
InChIKeyYJNYNUBBBZLGJN-UHFFFAOYSA-N
MW284.26 g/mol
LogP1.44
Rot. Bonds1

About N-phenylacetamide;trifluoromethanesulfonamide

N-phenylacetamide;trifluoromethanesulfonamide (PubChem CID 174361044) has the molecular formula C9H11F3N2O3S and a molecular weight of 284.26 g/mol. Its IUPAC name is N-phenylacetamide;trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-phenylacetamide;trifluoromethanesulfonamide
PubChem CID174361044
Molecular FormulaC9H11F3N2O3S
Molecular Weight284.26 g/mol
Exact Mass284.04
IUPAC NameN-phenylacetamide;trifluoromethanesulfonamide
SMILESCC(=O)Nc1ccccc1.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H9NO.CH2F3NO2S/c1-7(10)9-8-5-3-2-4-6-8;2-1(3,4)8(5,6)7/h2-6H,1H3,(H,9,10);(H2,5,6,7)
InChIKeyYJNYNUBBBZLGJN-UHFFFAOYSA-N
XLogP1.44
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cobalt;N-phenylacetamide
CID 158689050
acetohydrazide;N-phenylacetamide;hydrate
CID 174786539
acetyl bromide;N-phenylacetamide
CID 175285562
deuteriomethane;ethane;N-phenylacetamide
CID 91156750
N-phenylacetamide;toluene
CID 175205531
nitrous acid;N-phenylacetamide
CID 174797407
N-(4-hydroxyphenyl)acetamide;N-phenylacetamide
CID 174809741
N-methylethanamine;N-phenylacetamide
CID 156841550
phenoxybenzene;N-phenylacetamide
CID 174350344
N-(4-phenylphenyl)acetamide
CID 19998
N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278
(4-acetamidophenyl) N-phenylcarbamate
CID 58706000

Frequently Asked Questions

What is the IUPAC name of N-phenylacetamide;trifluoromethanesulfonamide?
The IUPAC name of N-phenylacetamide;trifluoromethanesulfonamide (CID 174361044) is N-phenylacetamide;trifluoromethanesulfonamide.
What is the SMILES notation for N-phenylacetamide;trifluoromethanesulfonamide?
The canonical SMILES for N-phenylacetamide;trifluoromethanesulfonamide is CC(=O)Nc1ccccc1.NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-phenylacetamide;trifluoromethanesulfonamide?
The InChIKey is YJNYNUBBBZLGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.CH2F3NO2S/c1-7(10)9-8-5-3-2-4-6-8;2-1(3,4)8(5,6)7/h2-6H,1H3,(H,9,10);(H2,5,6,7).
What are the key properties of N-phenylacetamide;trifluoromethanesulfonamide?
N-phenylacetamide;trifluoromethanesulfonamide has a molecular weight of 284.26 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylacetamide;trifluoromethanesulfonamide is sourced from PubChem (CID 174361044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).