4-[[[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide

C23H24F3N3O2 — CID 33394687

IUPAC4-[[[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCc1cccc2c(C(=O)CN(C)Cc3ccc(C(=O)NCC(F)(F)F)cc3)c[nH]c12
InChIInChI=1S/C23H24F3N3O2/c1-3-16-5-4-6-18-19(11-27-21(16)18)20(30)13-29(2)12-15-7-9-17(10-8-15)22(31)28-14-23(24,25)26/h4-11,27H,3,12-14H2,1-2H3,(H,28,31)
InChIKeyAIYFUUAJVCRPTQ-UHFFFAOYSA-N
MW431.46 g/mol
LogP4.34
Rot. Bonds8

About 4-[[[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide

4-[[[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 33394687) has the molecular formula C23H24F3N3O2 and a molecular weight of 431.46 g/mol. Its IUPAC name is 4-[[[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[[[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID33394687
Molecular FormulaC23H24F3N3O2
Molecular Weight431.46 g/mol
Exact Mass431.18
IUPAC Name4-[[[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCc1cccc2c(C(=O)CN(C)Cc3ccc(C(=O)NCC(F)(F)F)cc3)c[nH]c12
InChIInChI=1S/C23H24F3N3O2/c1-3-16-5-4-6-18-19(11-27-21(16)18)20(30)13-29(2)12-15-7-9-17(10-8-15)22(31)28-14-23(24,25)26/h4-11,27H,3,12-14H2,1-2H3,(H,28,31)
InChIKeyAIYFUUAJVCRPTQ-UHFFFAOYSA-N
XLogP4.34
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-ethyl-1H-indol-3-yl)-2-[furan-2-ylmethyl(methyl)amino]ethanone
CID 18094285
1-(7-ethyl-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone
CID 43339295
4-[[[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 33394615
4-[[[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 34640796
2-[(7-ethyl-1H-indol-3-yl)methyl-methylamino]acetic acid
CID 65056186
4-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]benzamide;hydrochloride
CID 119321134
3-fluoro-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide
CID 39997798
1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 47020755
4-O-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239576
1-(7-ethyl-1H-indol-3-yl)octan-1-one
CID 43339303
4-[[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 34635942
1-(7-ethyl-1H-indol-3-yl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 2503309

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[[[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 33394687) is 4-[[[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[[[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[[[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide is CCc1cccc2c(C(=O)CN(C)Cc3ccc(C(=O)NCC(F)(F)F)cc3)c[nH]c12.
What is the InChIKey of 4-[[[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is AIYFUUAJVCRPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O2/c1-3-16-5-4-6-18-19(11-27-21(16)18)20(30)13-29(2)12-15-7-9-17(10-8-15)22(31)28-14-23(24,25)26/h4-11,27H,3,12-14H2,1-2H3,(H,28,31).
What are the key properties of 4-[[[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide?
4-[[[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 431.46 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 33394687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).