3-(4-oxocinnolin-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide

C20H18F3N3O2 — CID 51254932

IUPAC3-(4-oxocinnolin-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESCC(NC(=O)CCn1ncc(=O)c2ccccc21)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H18F3N3O2/c1-13(14-5-4-6-15(11-14)20(21,22)23)25-19(28)9-10-26-17-8-3-2-7-16(17)18(27)12-24-26/h2-8,11-13H,9-10H2,1H3,(H,25,28)
InChIKeyXUAILFNIDRTLEX-UHFFFAOYSA-N
MW389.38 g/mol
LogP3.68
Rot. Bonds5

About 3-(4-oxocinnolin-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide

3-(4-oxocinnolin-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide (PubChem CID 51254932) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is 3-(4-oxocinnolin-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-(4-oxocinnolin-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
PubChem CID51254932
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name3-(4-oxocinnolin-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESCC(NC(=O)CCn1ncc(=O)c2ccccc21)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H18F3N3O2/c1-13(14-5-4-6-15(11-14)20(21,22)23)25-19(28)9-10-26-17-8-3-2-7-16(17)18(27)12-24-26/h2-8,11-13H,9-10H2,1H3,(H,25,28)
InChIKeyXUAILFNIDRTLEX-UHFFFAOYSA-N
XLogP3.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide
CID 47123641
N-(1-naphthalen-1-ylethyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254953
N-(3-methyl-1-phenylbutyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 42896905
N-(1,2-diphenylethyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254964
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 51926199
N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78778424
N-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254626
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 109381292
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 78778352
2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 60683177
3-(5-phenyl-1,3-oxazol-2-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 134010985
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 16618952

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxocinnolin-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The IUPAC name of 3-(4-oxocinnolin-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide (CID 51254932) is 3-(4-oxocinnolin-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-(4-oxocinnolin-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The canonical SMILES for 3-(4-oxocinnolin-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide is CC(NC(=O)CCn1ncc(=O)c2ccccc21)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(4-oxocinnolin-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The InChIKey is XUAILFNIDRTLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c1-13(14-5-4-6-15(11-14)20(21,22)23)25-19(28)9-10-26-17-8-3-2-7-16(17)18(27)12-24-26/h2-8,11-13H,9-10H2,1H3,(H,25,28).
What are the key properties of 3-(4-oxocinnolin-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
3-(4-oxocinnolin-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide has a molecular weight of 389.38 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxocinnolin-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 51254932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).