N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C20H13F3N4O3 — CID 56508223

IUPACN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C20H13F3N4O3/c21-20(22,23)16-8-9-26(25-16)11-17(28)24-12-4-3-5-13(10-12)27-18(29)14-6-1-2-7-15(14)19(27)30/h1-10H,11H2,(H,24,28)
InChIKeyIBOFCFWXWHXEEG-UHFFFAOYSA-N
MW414.34 g/mol
LogP3.34
Rot. Bonds4

About N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 56508223) has the molecular formula C20H13F3N4O3 and a molecular weight of 414.34 g/mol. Its IUPAC name is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID56508223
Molecular FormulaC20H13F3N4O3
Molecular Weight414.34 g/mol
Exact Mass414.09
IUPAC NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C20H13F3N4O3/c21-20(22,23)16-8-9-26(25-16)11-17(28)24-12-4-3-5-13(10-12)27-18(29)14-6-1-2-7-15(14)19(27)30/h1-10H,11H2,(H,24,28)
InChIKeyIBOFCFWXWHXEEG-UHFFFAOYSA-N
XLogP3.34
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[3-(methylcarbamoylamino)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 36825341
N-(3-cyanophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 9245501
N-[3-(methoxymethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 33288169
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 168518228
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 4880016
N-(3,5-dichlorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 26591497
N-(4-phenoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2505978
N-(3,5-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 9096694
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530768
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,2-dimethylpropanamide
CID 960947
N-(2,3,4,5,6-pentafluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530808
3-chloro-5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzoic acid
CID 167822851

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 56508223) is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is IBOFCFWXWHXEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O3/c21-20(22,23)16-8-9-26(25-16)11-17(28)24-12-4-3-5-13(10-12)27-18(29)14-6-1-2-7-15(14)19(27)30/h1-10H,11H2,(H,24,28).
What are the key properties of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 414.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 56508223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).