4-(diethylamino)-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]benzamide

C22H24F3N3O — CID 90680590

IUPAC4-(diethylamino)-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]benzamide
SMILESCCN(CC)c1ccc(C(=O)NCCn2c(C(F)(F)F)cc3ccccc32)cc1
InChIInChI=1S/C22H24F3N3O/c1-3-27(4-2)18-11-9-16(10-12-18)21(29)26-13-14-28-19-8-6-5-7-17(19)15-20(28)22(23,24)25/h5-12,15H,3-4,13-14H2,1-2H3,(H,26,29)
InChIKeyORHJSTDFQPAEPT-UHFFFAOYSA-N
MW403.45 g/mol
LogP4.94
Rot. Bonds7

About 4-(diethylamino)-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]benzamide

4-(diethylamino)-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]benzamide (PubChem CID 90680590) has the molecular formula C22H24F3N3O and a molecular weight of 403.45 g/mol. Its IUPAC name is 4-(diethylamino)-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]benzamide
PubChem CID90680590
Molecular FormulaC22H24F3N3O
Molecular Weight403.45 g/mol
Exact Mass403.19
IUPAC Name4-(diethylamino)-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]benzamide
SMILESCCN(CC)c1ccc(C(=O)NCCn2c(C(F)(F)F)cc3ccccc32)cc1
InChIInChI=1S/C22H24F3N3O/c1-3-27(4-2)18-11-9-16(10-12-18)21(29)26-13-14-28-19-8-6-5-7-17(19)15-20(28)22(23,24)25/h5-12,15H,3-4,13-14H2,1-2H3,(H,26,29)
InChIKeyORHJSTDFQPAEPT-UHFFFAOYSA-N
XLogP4.94
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3314807
4-chloro-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3311967
4-bromo-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 4144460
4-(2-aminoethyl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 90680568
2-[4-(diethylamino)phenyl]-N-[3-(2-methylindol-1-yl)propyl]acetamide
CID 91827368
(E)-3-(4-methoxyphenyl)-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]prop-2-enamide
CID 90677050
N-(2-acetamidoethyl)-4-(diethylamino)benzamide
CID 2481626
1,3-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]-2-oxobenzimidazole-5-carboxamide
CID 90680556
3,4,5-triethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3288194
4-(diethylamino)-N-(4-hydroxybutyl)benzamide
CID 106843290
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 40716581
4-(diethylamino)-N-(3-methoxypropyl)benzamide
CID 17310827

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]benzamide?
The IUPAC name of 4-(diethylamino)-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]benzamide (CID 90680590) is 4-(diethylamino)-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-(diethylamino)-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]benzamide?
The canonical SMILES for 4-(diethylamino)-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]benzamide is CCN(CC)c1ccc(C(=O)NCCn2c(C(F)(F)F)cc3ccccc32)cc1.
What is the InChIKey of 4-(diethylamino)-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]benzamide?
The InChIKey is ORHJSTDFQPAEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O/c1-3-27(4-2)18-11-9-16(10-12-18)21(29)26-13-14-28-19-8-6-5-7-17(19)15-20(28)22(23,24)25/h5-12,15H,3-4,13-14H2,1-2H3,(H,26,29).
What are the key properties of 4-(diethylamino)-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]benzamide?
4-(diethylamino)-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]benzamide has a molecular weight of 403.45 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]benzamide is sourced from PubChem (CID 90680590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).