benzyl N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]carbamate

C19H17F3N2O2 — CID 122366588

IUPACbenzyl N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]carbamate
SMILESO=C(NCCc1c(C(F)(F)F)[nH]c2ccccc12)OCc1ccccc1
InChIInChI=1S/C19H17F3N2O2/c20-19(21,22)17-15(14-8-4-5-9-16(14)24-17)10-11-23-18(25)26-12-13-6-2-1-3-7-13/h1-9,24H,10-12H2,(H,23,25)
InChIKeyQJAOFQXKSLDJJY-UHFFFAOYSA-N
MW362.35 g/mol
LogP4.66
Rot. Bonds5

About benzyl N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]carbamate

benzyl N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]carbamate (PubChem CID 122366588) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is benzyl N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]carbamate
PubChem CID122366588
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Namebenzyl N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]carbamate
SMILESO=C(NCCc1c(C(F)(F)F)[nH]c2ccccc12)OCc1ccccc1
InChIInChI=1S/C19H17F3N2O2/c20-19(21,22)17-15(14-8-4-5-9-16(14)24-17)10-11-23-18(25)26-12-13-6-2-1-3-7-13/h1-9,24H,10-12H2,(H,23,25)
InChIKeyQJAOFQXKSLDJJY-UHFFFAOYSA-N
XLogP4.66
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]carbamate?
The IUPAC name of benzyl N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]carbamate (CID 122366588) is benzyl N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]carbamate is O=C(NCCc1c(C(F)(F)F)[nH]c2ccccc12)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]carbamate?
The InChIKey is QJAOFQXKSLDJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c20-19(21,22)17-15(14-8-4-5-9-16(14)24-17)10-11-23-18(25)26-12-13-6-2-1-3-7-13/h1-9,24H,10-12H2,(H,23,25).
What are the key properties of benzyl N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]carbamate?
benzyl N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]carbamate has a molecular weight of 362.35 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]carbamate is sourced from PubChem (CID 122366588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).