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

C18H14F4N2O — CID 113083594

IUPACN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCCc1c[nH]c2ccc(F)cc12)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H14F4N2O/c19-14-5-6-16-15(9-14)12(10-24-16)7-8-23-17(25)11-1-3-13(4-2-11)18(20,21)22/h1-6,9-10,24H,7-8H2,(H,23,25)
InChIKeyLQWYQSJSFLQPSA-UHFFFAOYSA-N
MW350.32 g/mol
LogP4.30
Rot. Bonds4

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

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 113083594) has the molecular formula C18H14F4N2O and a molecular weight of 350.32 g/mol. Its IUPAC name is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(trifluoromethyl)benzamide
PubChem CID113083594
Molecular FormulaC18H14F4N2O
Molecular Weight350.32 g/mol
Exact Mass350.10
IUPAC NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCCc1c[nH]c2ccc(F)cc12)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H14F4N2O/c19-14-5-6-16-15(9-14)12(10-24-16)7-8-23-17(25)11-1-3-13(4-2-11)18(20,21)22/h1-6,9-10,24H,7-8H2,(H,23,25)
InChIKeyLQWYQSJSFLQPSA-UHFFFAOYSA-N
XLogP4.30
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 110731484
4-(furan-2-yl)-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]benzamide
CID 67973468
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(3-fluorophenyl)methyl]benzamide
CID 67974203
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxybenzamide
CID 155516405
N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 112993932
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 110731491
3-fluoro-N-[2-[[N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-4-methylbenzamide
CID 111972084
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 110731470
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111424366
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-[2-[4-(1H-indol-3-yl)butanoylamino]ethyl]-4-(trifluoromethyl)benzamide
CID 55545954

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(trifluoromethyl)benzamide (CID 113083594) is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(trifluoromethyl)benzamide is O=C(NCCc1c[nH]c2ccc(F)cc12)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is LQWYQSJSFLQPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N2O/c19-14-5-6-16-15(9-14)12(10-24-16)7-8-23-17(25)11-1-3-13(4-2-11)18(20,21)22/h1-6,9-10,24H,7-8H2,(H,23,25).
What are the key properties of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(trifluoromethyl)benzamide?
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 350.32 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 113083594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).