N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide

C21H21F3N2O2 — CID 86264361

IUPACN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCn1cc(C(O)CNC(=O)CCc2ccc(C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C21H21F3N2O2/c1-26-13-17(16-4-2-3-5-18(16)26)19(27)12-25-20(28)11-8-14-6-9-15(10-7-14)21(22,23)24/h2-7,9-10,13,19,27H,8,11-12H2,1H3,(H,25,28)
InChIKeyCSGUOASKEGIJOP-UHFFFAOYSA-N
MW390.41 g/mol
LogP3.98
Rot. Bonds6

About N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide

N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 86264361) has the molecular formula C21H21F3N2O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID86264361
Molecular FormulaC21H21F3N2O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC NameN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCn1cc(C(O)CNC(=O)CCc2ccc(C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C21H21F3N2O2/c1-26-13-17(16-4-2-3-5-18(16)26)19(27)12-25-20(28)11-8-14-6-9-15(10-7-14)21(22,23)24/h2-7,9-10,13,19,27H,8,11-12H2,1H3,(H,25,28)
InChIKeyCSGUOASKEGIJOP-UHFFFAOYSA-N
XLogP3.98
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide (CID 86264361) is N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide is Cn1cc(C(O)CNC(=O)CCc2ccc(C(F)(F)F)cc2)c2ccccc21.
What is the InChIKey of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is CSGUOASKEGIJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O2/c1-26-13-17(16-4-2-3-5-18(16)26)19(27)12-25-20(28)11-8-14-6-9-15(10-7-14)21(22,23)24/h2-7,9-10,13,19,27H,8,11-12H2,1H3,(H,25,28).
What are the key properties of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 390.41 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 86264361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).