[3-(trifluoromethoxy)phenyl]methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate

C19H17F3N2O4 — CID 6735947

IUPAC[3-(trifluoromethoxy)phenyl]methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
SMILESO=C(NCCc1c[nH]c2ccc(O)cc12)OCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C19H17F3N2O4/c20-19(21,22)28-15-3-1-2-12(8-15)11-27-18(26)23-7-6-13-10-24-17-5-4-14(25)9-16(13)17/h1-5,8-10,24-25H,6-7,11H2,(H,23,26)
InChIKeyYUPVMNUBIGGKMD-UHFFFAOYSA-N
MW394.35 g/mol
LogP4.24
Rot. Bonds6

About [3-(trifluoromethoxy)phenyl]methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate

[3-(trifluoromethoxy)phenyl]methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate (PubChem CID 6735947) has the molecular formula C19H17F3N2O4 and a molecular weight of 394.35 g/mol. Its IUPAC name is [3-(trifluoromethoxy)phenyl]methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Name[3-(trifluoromethoxy)phenyl]methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
PubChem CID6735947
Molecular FormulaC19H17F3N2O4
Molecular Weight394.35 g/mol
Exact Mass394.11
IUPAC Name[3-(trifluoromethoxy)phenyl]methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
SMILESO=C(NCCc1c[nH]c2ccc(O)cc12)OCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C19H17F3N2O4/c20-19(21,22)28-15-3-1-2-12(8-15)11-27-18(26)23-7-6-13-10-24-17-5-4-14(25)9-16(13)17/h1-5,8-10,24-25H,6-7,11H2,(H,23,26)
InChIKeyYUPVMNUBIGGKMD-UHFFFAOYSA-N
XLogP4.24
TPSA83.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethoxy)phenyl]methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate?
The IUPAC name of [3-(trifluoromethoxy)phenyl]methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate (CID 6735947) is [3-(trifluoromethoxy)phenyl]methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate.
What is the SMILES notation for [3-(trifluoromethoxy)phenyl]methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate?
The canonical SMILES for [3-(trifluoromethoxy)phenyl]methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate is O=C(NCCc1c[nH]c2ccc(O)cc12)OCc1cccc(OC(F)(F)F)c1.
What is the InChIKey of [3-(trifluoromethoxy)phenyl]methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate?
The InChIKey is YUPVMNUBIGGKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O4/c20-19(21,22)28-15-3-1-2-12(8-15)11-27-18(26)23-7-6-13-10-24-17-5-4-14(25)9-16(13)17/h1-5,8-10,24-25H,6-7,11H2,(H,23,26).
What are the key properties of [3-(trifluoromethoxy)phenyl]methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate?
[3-(trifluoromethoxy)phenyl]methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate has a molecular weight of 394.35 g/mol, XLogP of 4.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethoxy)phenyl]methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate is sourced from PubChem (CID 6735947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).