N-[2-(1H-indol-6-yl)ethyl]-2-(trifluoromethyl)benzamide

C18H15F3N2O — CID 84579799

IUPACN-[2-(1H-indol-6-yl)ethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCCc1ccc2cc[nH]c2c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H15F3N2O/c19-18(20,21)15-4-2-1-3-14(15)17(24)23-9-7-12-5-6-13-8-10-22-16(13)11-12/h1-6,8,10-11,22H,7,9H2,(H,23,24)
InChIKeyKXEBPWLOUSSMLR-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.16
Rot. Bonds4

About N-[2-(1H-indol-6-yl)ethyl]-2-(trifluoromethyl)benzamide

N-[2-(1H-indol-6-yl)ethyl]-2-(trifluoromethyl)benzamide (PubChem CID 84579799) has the molecular formula C18H15F3N2O and a molecular weight of 332.33 g/mol. Its IUPAC name is N-[2-(1H-indol-6-yl)ethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(1H-indol-6-yl)ethyl]-2-(trifluoromethyl)benzamide
PubChem CID84579799
Molecular FormulaC18H15F3N2O
Molecular Weight332.33 g/mol
Exact Mass332.11
IUPAC NameN-[2-(1H-indol-6-yl)ethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCCc1ccc2cc[nH]c2c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H15F3N2O/c19-18(20,21)15-4-2-1-3-14(15)17(24)23-9-7-12-5-6-13-8-10-22-16(13)11-12/h1-6,8,10-11,22H,7,9H2,(H,23,24)
InChIKeyKXEBPWLOUSSMLR-UHFFFAOYSA-N
XLogP4.16
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dichloro-N-[2-(1H-indol-6-yl)ethyl]benzamide
CID 84580794
2-(1H-indol-6-yl)-N-(3,3,3-trifluoropropyl)acetamide
CID 112527774
N-[2-(1H-indol-6-yl)ethyl]prop-1-en-2-amine
CID 144853621
N-[2-(2-chlorophenyl)ethyl]-2-(1H-indol-6-yl)acetamide
CID 112529427
N-(2-pyridin-4-ylethyl)-1H-indole-6-carboxamide
CID 63769836
N-hexadecyl-2-(trifluoromethyl)benzamide
CID 91726412
N-octadecyl-2-(trifluoromethyl)benzamide
CID 91726413
2-(1H-indol-6-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 112530271
N-benzyl-2-(1H-indol-6-yl)acetamide
CID 54366810
N-[2-[3-(2-methyl-3-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 118121365
1-(1H-indol-6-yl)-3-[2-[2-(trifluoromethyl)phenoxy]ethyl]urea
CID 155412410
N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-(trifluoromethyl)benzamide
CID 16889920

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-6-yl)ethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(1H-indol-6-yl)ethyl]-2-(trifluoromethyl)benzamide (CID 84579799) is N-[2-(1H-indol-6-yl)ethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(1H-indol-6-yl)ethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(1H-indol-6-yl)ethyl]-2-(trifluoromethyl)benzamide is O=C(NCCc1ccc2cc[nH]c2c1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-(1H-indol-6-yl)ethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is KXEBPWLOUSSMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O/c19-18(20,21)15-4-2-1-3-14(15)17(24)23-9-7-12-5-6-13-8-10-22-16(13)11-12/h1-6,8,10-11,22H,7,9H2,(H,23,24).
What are the key properties of N-[2-(1H-indol-6-yl)ethyl]-2-(trifluoromethyl)benzamide?
N-[2-(1H-indol-6-yl)ethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 332.33 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-6-yl)ethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 84579799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).