N-[4-[3-(4-ethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide

C23H21F3N2O3 — CID 55500727

IUPACN-[4-[3-(4-ethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCCc1ccc(CCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)cc1
InChIInChI=1S/C23H21F3N2O3/c1-2-15-5-7-16(8-6-15)9-12-21(29)28-19-11-10-17(14-18(19)23(24,25)26)27-22(30)20-4-3-13-31-20/h3-8,10-11,13-14H,2,9,12H2,1H3,(H,27,30)(H,28,29)
InChIKeyYNVVRXQGNAWCSN-UHFFFAOYSA-N
MW430.43 g/mol
LogP5.68
Rot. Bonds7

About N-[4-[3-(4-ethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[4-[3-(4-ethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 55500727) has the molecular formula C23H21F3N2O3 and a molecular weight of 430.43 g/mol. Its IUPAC name is N-[4-[3-(4-ethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(4-ethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID55500727
Molecular FormulaC23H21F3N2O3
Molecular Weight430.43 g/mol
Exact Mass430.15
IUPAC NameN-[4-[3-(4-ethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCCc1ccc(CCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)cc1
InChIInChI=1S/C23H21F3N2O3/c1-2-15-5-7-16(8-6-15)9-12-21(29)28-19-11-10-17(14-18(19)23(24,25)26)27-22(30)20-4-3-13-31-20/h3-8,10-11,13-14H,2,9,12H2,1H3,(H,27,30)(H,28,29)
InChIKeyYNVVRXQGNAWCSN-UHFFFAOYSA-N
XLogP5.68
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.43
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-(4-fluorophenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 18272984
N-[4-[3-(2,4-dimethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 18273140
N-[4-[[2-(4-bromophenyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26062040
N-[4-[3-[(2-methylbenzoyl)amino]propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 30085758
N-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55687145
N-[3-hydroxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide
CID 17359487
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-[(2-chlorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 43041357
N-[4-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 98437481
N-[4-[3-(4-oxocinnolin-1-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55501351
N-[4-[(4-ethoxy-3-methylbenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 86938042

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-ethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[3-(4-ethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 55500727) is N-[4-[3-(4-ethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[3-(4-ethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[3-(4-ethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide is CCc1ccc(CCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)cc1.
What is the InChIKey of N-[4-[3-(4-ethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is YNVVRXQGNAWCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O3/c1-2-15-5-7-16(8-6-15)9-12-21(29)28-19-11-10-17(14-18(19)23(24,25)26)27-22(30)20-4-3-13-31-20/h3-8,10-11,13-14H,2,9,12H2,1H3,(H,27,30)(H,28,29).
What are the key properties of N-[4-[3-(4-ethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[4-[3-(4-ethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 430.43 g/mol, XLogP of 5.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-ethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 55500727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).