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

C19H17F3N2O — CID 22722094

IUPACN-[1-(1H-indol-2-yl)ethyl]-N-methyl-2-(trifluoromethyl)benzamide
SMILESCC(c1cc2ccccc2[nH]1)N(C)C(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H17F3N2O/c1-12(17-11-13-7-3-6-10-16(13)23-17)24(2)18(25)14-8-4-5-9-15(14)19(20,21)22/h3-12,23H,1-2H3
InChIKeyLZQXZOGLRLAXKG-UHFFFAOYSA-N
MW346.35 g/mol
LogP5.02
Rot. Bonds3

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

N-[1-(1H-indol-2-yl)ethyl]-N-methyl-2-(trifluoromethyl)benzamide (PubChem CID 22722094) has the molecular formula C19H17F3N2O and a molecular weight of 346.35 g/mol. Its IUPAC name is N-[1-(1H-indol-2-yl)ethyl]-N-methyl-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(1H-indol-2-yl)ethyl]-N-methyl-2-(trifluoromethyl)benzamide
PubChem CID22722094
Molecular FormulaC19H17F3N2O
Molecular Weight346.35 g/mol
Exact Mass346.13
IUPAC NameN-[1-(1H-indol-2-yl)ethyl]-N-methyl-2-(trifluoromethyl)benzamide
SMILESCC(c1cc2ccccc2[nH]1)N(C)C(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H17F3N2O/c1-12(17-11-13-7-3-6-10-16(13)23-17)24(2)18(25)14-8-4-5-9-15(14)19(20,21)22/h3-12,23H,1-2H3
InChIKeyLZQXZOGLRLAXKG-UHFFFAOYSA-N
XLogP5.02
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.35
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-2-yl)ethyl]-N-methyl-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(1H-indol-2-yl)ethyl]-N-methyl-2-(trifluoromethyl)benzamide (CID 22722094) is N-[1-(1H-indol-2-yl)ethyl]-N-methyl-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(1H-indol-2-yl)ethyl]-N-methyl-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(1H-indol-2-yl)ethyl]-N-methyl-2-(trifluoromethyl)benzamide is CC(c1cc2ccccc2[nH]1)N(C)C(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[1-(1H-indol-2-yl)ethyl]-N-methyl-2-(trifluoromethyl)benzamide?
The InChIKey is LZQXZOGLRLAXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O/c1-12(17-11-13-7-3-6-10-16(13)23-17)24(2)18(25)14-8-4-5-9-15(14)19(20,21)22/h3-12,23H,1-2H3.
What are the key properties of N-[1-(1H-indol-2-yl)ethyl]-N-methyl-2-(trifluoromethyl)benzamide?
N-[1-(1H-indol-2-yl)ethyl]-N-methyl-2-(trifluoromethyl)benzamide has a molecular weight of 346.35 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indol-2-yl)ethyl]-N-methyl-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 22722094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).