[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl] N-methyl-N-phenylcarbamate

C23H20F3NO3 — CID 23651139

IUPAC[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl] N-methyl-N-phenylcarbamate
SMILESCN(C(=O)OCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20F3NO3/c1-27(19-10-6-3-7-11-19)22(28)29-16-21(17-8-4-2-5-9-17)30-20-14-12-18(13-15-20)23(24,25)26/h2-15,21H,16H2,1H3
InChIKeyHIANHGROTODBEK-UHFFFAOYSA-N
MW415.41 g/mol
LogP6.10
Rot. Bonds6

About [2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl] N-methyl-N-phenylcarbamate

[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl] N-methyl-N-phenylcarbamate (PubChem CID 23651139) has the molecular formula C23H20F3NO3 and a molecular weight of 415.41 g/mol. Its IUPAC name is [2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl] N-methyl-N-phenylcarbamate.

Molecular Properties

Compound Name[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl] N-methyl-N-phenylcarbamate
PubChem CID23651139
Molecular FormulaC23H20F3NO3
Molecular Weight415.41 g/mol
Exact Mass415.14
IUPAC Name[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl] N-methyl-N-phenylcarbamate
SMILESCN(C(=O)OCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20F3NO3/c1-27(19-10-6-3-7-11-19)22(28)29-16-21(17-8-4-2-5-9-17)30-20-14-12-18(13-15-20)23(24,25)26/h2-15,21H,16H2,1H3
InChIKeyHIANHGROTODBEK-UHFFFAOYSA-N
XLogP6.10
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.41
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl] N-methyl-N-phenylcarbamate?
The IUPAC name of [2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl] N-methyl-N-phenylcarbamate (CID 23651139) is [2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl] N-methyl-N-phenylcarbamate.
What is the SMILES notation for [2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl] N-methyl-N-phenylcarbamate?
The canonical SMILES for [2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl] N-methyl-N-phenylcarbamate is CN(C(=O)OCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl] N-methyl-N-phenylcarbamate?
The InChIKey is HIANHGROTODBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3NO3/c1-27(19-10-6-3-7-11-19)22(28)29-16-21(17-8-4-2-5-9-17)30-20-14-12-18(13-15-20)23(24,25)26/h2-15,21H,16H2,1H3.
What are the key properties of [2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl] N-methyl-N-phenylcarbamate?
[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl] N-methyl-N-phenylcarbamate has a molecular weight of 415.41 g/mol, XLogP of 6.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl] N-methyl-N-phenylcarbamate is sourced from PubChem (CID 23651139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).