Gsk232420A

C12H9F6N3O — CID 11472813

IUPAC2-[4-cyano-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)anilino]acetamide
SMILESC1=CC(=C(C=C1N(CC(=O)N)CC(F)(F)F)C(F)(F)F)C#N
InChIInChI=1S/C12H9F6N3O/c13-11(14,15)6-21(5-10(20)22)8-2-1-7(4-19)9(3-8)12(16,17)18/h1-3H,5-6H2,(H2,20,22)
InChIKeyZDYGKWOTFUOWOA-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.70
Rot. Bonds4

About Gsk232420A

Gsk232420A (PubChem CID 11472813) has the molecular formula C12H9F6N3O and a molecular weight of 325.21 g/mol. Its IUPAC name is 2-[4-cyano-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameGsk232420A
PubChem CID11472813
Molecular FormulaC12H9F6N3O
Molecular Weight325.21 g/mol
Exact Mass325.06
IUPAC Name2-[4-cyano-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)anilino]acetamide
SMILESC1=CC(=C(C=C1N(CC(=O)N)CC(F)(F)F)C(F)(F)F)C#N
InChIInChI=1S/C12H9F6N3O/c13-11(14,15)6-21(5-10(20)22)8-2-1-7(4-19)9(3-8)12(16,17)18/h1-3H,5-6H2,(H2,20,22)
InChIKeyZDYGKWOTFUOWOA-UHFFFAOYSA-N
XLogP2.70
TPSA70.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity452

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N~2~-[4-Cyano-3-(Trifluoromethyl)phenyl]-N,N-Dimethyl-N~2~-(2,2,2-Trifluoroethyl)-L-Alaninamide
CID 11326074
4'-Cyano-3'-(trifluoromethyl)acetanilide
CID 2736741
2-(Trifluoromethyl)-4-[2,5-dioxo-3-(2-fluoroethyl)-4,4-dimethyl-1-imidazolidinyl]benzonitrile
CID 44265864
rac 2-((4-cyano-3-(trifluoromethyl)phenyl)(2,2,2-trifluoroethyl)amino)-N,N-dimethylacetamide
CID 45272032
N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-methylprop-2-enamide
CID 11149469
2-(azepan-1-yl)-N-(3-cyanophenyl)acetamide
CID 2553774
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-methylpropanamide
CID 146513798
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(5-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanamide
CID 146513800
4-Acetamido-2-methylbenzonitrile
CID 2737380
2-(diethylamino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 718637
4-[3-(Trifluoromethyl)phenyl]piperazine-1-acetamide
CID 6468495
2-(diethylamino)-N-(3,4-dimethylphenyl)acetamide
CID 11557714

Frequently Asked Questions

What is the IUPAC name of Gsk232420A?
The IUPAC name of Gsk232420A (CID 11472813) is 2-[4-cyano-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for Gsk232420A?
The canonical SMILES for Gsk232420A is C1=CC(=C(C=C1N(CC(=O)N)CC(F)(F)F)C(F)(F)F)C#N.
What is the InChIKey of Gsk232420A?
The InChIKey is ZDYGKWOTFUOWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F6N3O/c13-11(14,15)6-21(5-10(20)22)8-2-1-7(4-19)9(3-8)12(16,17)18/h1-3H,5-6H2,(H2,20,22).
What are the key properties of Gsk232420A?
Gsk232420A has a molecular weight of 325.21 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for Gsk232420A is sourced from PubChem (CID 11472813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).