6-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenyl-4,5-dihydropyridazine-3-carboxamide

C20H17F3N4O3 — CID 53157447

IUPAC6-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(CN1N=C(C(=O)Nc2ccccc2)CCC1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H17F3N4O3/c21-20(22,23)13-5-4-8-15(11-13)24-17(28)12-27-18(29)10-9-16(26-27)19(30)25-14-6-2-1-3-7-14/h1-8,11H,9-10,12H2,(H,24,28)(H,25,30)
InChIKeyIBMNNVKXYYDTHS-UHFFFAOYSA-N
MW418.38 g/mol
LogP3.26
Rot. Bonds5

About 6-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenyl-4,5-dihydropyridazine-3-carboxamide

6-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenyl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 53157447) has the molecular formula C20H17F3N4O3 and a molecular weight of 418.38 g/mol. Its IUPAC name is 6-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenyl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenyl-4,5-dihydropyridazine-3-carboxamide
PubChem CID53157447
Molecular FormulaC20H17F3N4O3
Molecular Weight418.38 g/mol
Exact Mass418.13
IUPAC Name6-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(CN1N=C(C(=O)Nc2ccccc2)CCC1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H17F3N4O3/c21-20(22,23)13-5-4-8-15(11-13)24-17(28)12-27-18(29)10-9-16(26-27)19(30)25-14-6-2-1-3-7-14/h1-8,11H,9-10,12H2,(H,24,28)(H,25,30)
InChIKeyIBMNNVKXYYDTHS-UHFFFAOYSA-N
XLogP3.26
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-1-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 53157463
1-[(3R)-1,1-dioxothiolan-3-yl]-6-oxo-N-[3-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-3-carboxamide
CID 8762491
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 112779001
N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956063
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53367259
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 53157467
2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53028982
2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazole-3-carboxylic acid
CID 19482774
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 122278445
5-methyl-4-oxo-3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 40823874
2-[(4R,5S)-7-oxo-4-phenyl-2,6-diazaspiro[4.5]decan-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 155987052
2-(4-hydroxypiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 31480654

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenyl-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 6-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenyl-4,5-dihydropyridazine-3-carboxamide (CID 53157447) is 6-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenyl-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenyl-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenyl-4,5-dihydropyridazine-3-carboxamide is O=C(CN1N=C(C(=O)Nc2ccccc2)CCC1=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenyl-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is IBMNNVKXYYDTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O3/c21-20(22,23)13-5-4-8-15(11-13)24-17(28)12-27-18(29)10-9-16(26-27)19(30)25-14-6-2-1-3-7-14/h1-8,11H,9-10,12H2,(H,24,28)(H,25,30).
What are the key properties of 6-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenyl-4,5-dihydropyridazine-3-carboxamide?
6-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenyl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 418.38 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenyl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 53157447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).