2-(4-oxocinnolin-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

C19H16F3N3O2 — CID 55415378

IUPAC2-(4-oxocinnolin-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESO=C(Cn1ncc(=O)c2ccccc21)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)14-7-5-13(6-8-14)9-10-23-18(27)12-25-16-4-2-1-3-15(16)17(26)11-24-25/h1-8,11H,9-10,12H2,(H,23,27)
InChIKeyAXGWFQLCNAZLMP-UHFFFAOYSA-N
MW375.35 g/mol
LogP2.77
Rot. Bonds5

About 2-(4-oxocinnolin-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

2-(4-oxocinnolin-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 55415378) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is 2-(4-oxocinnolin-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-oxocinnolin-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID55415378
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name2-(4-oxocinnolin-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESO=C(Cn1ncc(=O)c2ccccc21)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)14-7-5-13(6-8-14)9-10-23-18(27)12-25-16-4-2-1-3-15(16)17(26)11-24-25/h1-8,11H,9-10,12H2,(H,23,27)
InChIKeyAXGWFQLCNAZLMP-UHFFFAOYSA-N
XLogP2.77
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-oxocinnolin-1-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
CID 55493309
2-(4-oxocinnolin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 134049978
N-tert-butylsulfonyl-2-(4-oxocinnolin-1-yl)acetamide
CID 167942229
2-(4-oxocinnolin-1-yl)acetic acid
CID 7131158
N-(3-indol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 17476622
2-(4-oxocinnolin-1-yl)-N-pyridin-4-ylacetamide
CID 39953740
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
N-(4-hydroxy-2,2-dimethylpentyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 111480501
2-(9-oxoacridin-10-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 134051518
2-(4-oxocinnolin-1-yl)acetate
CID 7131157
N-[2-(4-chlorophenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 7694826
N'-[2-(4-tert-butylphenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide
CID 25485810

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxocinnolin-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-(4-oxocinnolin-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (CID 55415378) is 2-(4-oxocinnolin-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(4-oxocinnolin-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(4-oxocinnolin-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is O=C(Cn1ncc(=O)c2ccccc21)NCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(4-oxocinnolin-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is AXGWFQLCNAZLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c20-19(21,22)14-7-5-13(6-8-14)9-10-23-18(27)12-25-16-4-2-1-3-15(16)17(26)11-24-25/h1-8,11H,9-10,12H2,(H,23,27).
What are the key properties of 2-(4-oxocinnolin-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
2-(4-oxocinnolin-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 375.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxocinnolin-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 55415378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).