[4-(trifluoromethyl)phenyl]methyl N-(1H-indol-4-yl)carbamate

C17H13F3N2O2 — CID 11724418

IUPAC[4-(trifluoromethyl)phenyl]methyl N-(1H-indol-4-yl)carbamate
SMILESO=C(Nc1cccc2[nH]ccc12)OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H13F3N2O2/c18-17(19,20)12-6-4-11(5-7-12)10-24-16(23)22-15-3-1-2-14-13(15)8-9-21-14/h1-9,21H,10H2,(H,22,23)
InChIKeyAWDIEVKHZUUOSH-UHFFFAOYSA-N
MW334.30 g/mol
LogP4.94
Rot. Bonds3

About [4-(trifluoromethyl)phenyl]methyl N-(1H-indol-4-yl)carbamate

[4-(trifluoromethyl)phenyl]methyl N-(1H-indol-4-yl)carbamate (PubChem CID 11724418) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl]methyl N-(1H-indol-4-yl)carbamate.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl]methyl N-(1H-indol-4-yl)carbamate
PubChem CID11724418
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name[4-(trifluoromethyl)phenyl]methyl N-(1H-indol-4-yl)carbamate
SMILESO=C(Nc1cccc2[nH]ccc12)OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H13F3N2O2/c18-17(19,20)12-6-4-11(5-7-12)10-24-16(23)22-15-3-1-2-14-13(15)8-9-21-14/h1-9,21H,10H2,(H,22,23)
InChIKeyAWDIEVKHZUUOSH-UHFFFAOYSA-N
XLogP4.94
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)phenyl]methyl N-(1H-indol-4-yl)carbamate?
The IUPAC name of [4-(trifluoromethyl)phenyl]methyl N-(1H-indol-4-yl)carbamate (CID 11724418) is [4-(trifluoromethyl)phenyl]methyl N-(1H-indol-4-yl)carbamate.
What is the SMILES notation for [4-(trifluoromethyl)phenyl]methyl N-(1H-indol-4-yl)carbamate?
The canonical SMILES for [4-(trifluoromethyl)phenyl]methyl N-(1H-indol-4-yl)carbamate is O=C(Nc1cccc2[nH]ccc12)OCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethyl)phenyl]methyl N-(1H-indol-4-yl)carbamate?
The InChIKey is AWDIEVKHZUUOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c18-17(19,20)12-6-4-11(5-7-12)10-24-16(23)22-15-3-1-2-14-13(15)8-9-21-14/h1-9,21H,10H2,(H,22,23).
What are the key properties of [4-(trifluoromethyl)phenyl]methyl N-(1H-indol-4-yl)carbamate?
[4-(trifluoromethyl)phenyl]methyl N-(1H-indol-4-yl)carbamate has a molecular weight of 334.30 g/mol, XLogP of 4.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl]methyl N-(1H-indol-4-yl)carbamate is sourced from PubChem (CID 11724418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).