N-[4-[3-(4-oxocinnolin-1-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide

C23H17F3N4O4 — CID 55501351

IUPACN-[4-[3-(4-oxocinnolin-1-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(CCn1ncc(=O)c2ccccc21)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F
InChIInChI=1S/C23H17F3N4O4/c24-23(25,26)16-12-14(28-22(33)20-6-3-11-34-20)7-8-17(16)29-21(32)9-10-30-18-5-2-1-4-15(18)19(31)13-27-30/h1-8,11-13H,9-10H2,(H,28,33)(H,29,32)
InChIKeyJUFRRIGABDPTAO-UHFFFAOYSA-N
MW470.41 g/mol
LogP4.29
Rot. Bonds6

About N-[4-[3-(4-oxocinnolin-1-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[4-[3-(4-oxocinnolin-1-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 55501351) has the molecular formula C23H17F3N4O4 and a molecular weight of 470.41 g/mol. Its IUPAC name is N-[4-[3-(4-oxocinnolin-1-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(4-oxocinnolin-1-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID55501351
Molecular FormulaC23H17F3N4O4
Molecular Weight470.41 g/mol
Exact Mass470.12
IUPAC NameN-[4-[3-(4-oxocinnolin-1-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(CCn1ncc(=O)c2ccccc21)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F
InChIInChI=1S/C23H17F3N4O4/c24-23(25,26)16-12-14(28-22(33)20-6-3-11-34-20)7-8-17(16)29-21(32)9-10-30-18-5-2-1-4-15(18)19(31)13-27-30/h1-8,11-13H,9-10H2,(H,28,33)(H,29,32)
InChIKeyJUFRRIGABDPTAO-UHFFFAOYSA-N
XLogP4.29
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.41
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 43038209
N-[4-[3-(4-fluorophenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 18272984
N-[4-[3-(4-ethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55500727
N-[4-[3-[(2-methylbenzoyl)amino]propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 30085758
N-[4-[[2-(4-bromophenyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26062040
N-[4-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55698756
N-[4-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55538469
N-[4-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26062392
N-(4-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 18097739
N-[4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55500795
N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 55573943
N-[4-[3-(2,4-dimethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 18273140

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-oxocinnolin-1-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[3-(4-oxocinnolin-1-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 55501351) is N-[4-[3-(4-oxocinnolin-1-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[3-(4-oxocinnolin-1-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[3-(4-oxocinnolin-1-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(CCn1ncc(=O)c2ccccc21)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F.
What is the InChIKey of N-[4-[3-(4-oxocinnolin-1-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is JUFRRIGABDPTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O4/c24-23(25,26)16-12-14(28-22(33)20-6-3-11-34-20)7-8-17(16)29-21(32)9-10-30-18-5-2-1-4-15(18)19(31)13-27-30/h1-8,11-13H,9-10H2,(H,28,33)(H,29,32).
What are the key properties of N-[4-[3-(4-oxocinnolin-1-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[4-[3-(4-oxocinnolin-1-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 470.41 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-oxocinnolin-1-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 55501351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).