4-(furan-2-yl)-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]benzamide

C22H17F3N2O2 — CID 67973468

IUPAC4-(furan-2-yl)-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccc(C(F)(F)F)cc12)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C22H17F3N2O2/c23-22(24,25)17-7-8-19-18(12-17)16(13-27-19)9-10-26-21(28)15-5-3-14(4-6-15)20-2-1-11-29-20/h1-8,11-13,27H,9-10H2,(H,26,28)
InChIKeyDKDAXDAKNIMOFU-UHFFFAOYSA-N
MW398.38 g/mol
LogP5.42
Rot. Bonds5

About 4-(furan-2-yl)-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]benzamide

4-(furan-2-yl)-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]benzamide (PubChem CID 67973468) has the molecular formula C22H17F3N2O2 and a molecular weight of 398.38 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-(furan-2-yl)-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]benzamide
PubChem CID67973468
Molecular FormulaC22H17F3N2O2
Molecular Weight398.38 g/mol
Exact Mass398.12
IUPAC Name4-(furan-2-yl)-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccc(C(F)(F)F)cc12)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C22H17F3N2O2/c23-22(24,25)17-7-8-19-18(12-17)16(13-27-19)9-10-26-21(28)15-5-3-14(4-6-15)20-2-1-11-29-20/h1-8,11-13,27H,9-10H2,(H,26,28)
InChIKeyDKDAXDAKNIMOFU-UHFFFAOYSA-N
XLogP5.42
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.38
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 113083594
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 110731470
N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 112993932
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanol
CID 12030137
N-[2-[4-(1H-indol-3-yl)butanoylamino]ethyl]-4-(trifluoromethyl)benzamide
CID 55545954
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(furan-2-ylmethyl)benzamide
CID 86699433
[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 2987344
4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 17271798
N-[2-[[N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111972111
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-4-nitrobenzamide
CID 2038867
4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 67974521

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]benzamide?
The IUPAC name of 4-(furan-2-yl)-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]benzamide (CID 67973468) is 4-(furan-2-yl)-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]benzamide.
What is the SMILES notation for 4-(furan-2-yl)-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]benzamide?
The canonical SMILES for 4-(furan-2-yl)-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]benzamide is O=C(NCCc1c[nH]c2ccc(C(F)(F)F)cc12)c1ccc(-c2ccco2)cc1.
What is the InChIKey of 4-(furan-2-yl)-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]benzamide?
The InChIKey is DKDAXDAKNIMOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O2/c23-22(24,25)17-7-8-19-18(12-17)16(13-27-19)9-10-26-21(28)15-5-3-14(4-6-15)20-2-1-11-29-20/h1-8,11-13,27H,9-10H2,(H,26,28).
What are the key properties of 4-(furan-2-yl)-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]benzamide?
4-(furan-2-yl)-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]benzamide has a molecular weight of 398.38 g/mol, XLogP of 5.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]benzamide is sourced from PubChem (CID 67973468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).