[2-[2-cyclopentyl-3-(trifluoromethyl)phenyl]-4-methylphenyl] carbamate

C20H20F3NO2 — CID 67742585

IUPAC[2-[2-cyclopentyl-3-(trifluoromethyl)phenyl]-4-methylphenyl] carbamate
SMILESCc1ccc(OC(N)=O)c(-c2cccc(C(F)(F)F)c2C2CCCC2)c1
InChIInChI=1S/C20H20F3NO2/c1-12-9-10-17(26-19(24)25)15(11-12)14-7-4-8-16(20(21,22)23)18(14)13-5-2-3-6-13/h4,7-11,13H,2-3,5-6H2,1H3,(H2,24,25)
InChIKeyIZNOGDCRCSOJJL-UHFFFAOYSA-N
MW363.38 g/mol
LogP5.80
Rot. Bonds3

About [2-[2-cyclopentyl-3-(trifluoromethyl)phenyl]-4-methylphenyl] carbamate

[2-[2-cyclopentyl-3-(trifluoromethyl)phenyl]-4-methylphenyl] carbamate (PubChem CID 67742585) has the molecular formula C20H20F3NO2 and a molecular weight of 363.38 g/mol. Its IUPAC name is [2-[2-cyclopentyl-3-(trifluoromethyl)phenyl]-4-methylphenyl] carbamate.

Molecular Properties

Compound Name[2-[2-cyclopentyl-3-(trifluoromethyl)phenyl]-4-methylphenyl] carbamate
PubChem CID67742585
Molecular FormulaC20H20F3NO2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name[2-[2-cyclopentyl-3-(trifluoromethyl)phenyl]-4-methylphenyl] carbamate
SMILESCc1ccc(OC(N)=O)c(-c2cccc(C(F)(F)F)c2C2CCCC2)c1
InChIInChI=1S/C20H20F3NO2/c1-12-9-10-17(26-19(24)25)15(11-12)14-7-4-8-16(20(21,22)23)18(14)13-5-2-3-6-13/h4,7-11,13H,2-3,5-6H2,1H3,(H2,24,25)
InChIKeyIZNOGDCRCSOJJL-UHFFFAOYSA-N
XLogP5.80
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.38
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[2-cyclopentyl-3-(trifluoromethyl)phenyl]-4-methylphenyl] carbamate?
The IUPAC name of [2-[2-cyclopentyl-3-(trifluoromethyl)phenyl]-4-methylphenyl] carbamate (CID 67742585) is [2-[2-cyclopentyl-3-(trifluoromethyl)phenyl]-4-methylphenyl] carbamate.
What is the SMILES notation for [2-[2-cyclopentyl-3-(trifluoromethyl)phenyl]-4-methylphenyl] carbamate?
The canonical SMILES for [2-[2-cyclopentyl-3-(trifluoromethyl)phenyl]-4-methylphenyl] carbamate is Cc1ccc(OC(N)=O)c(-c2cccc(C(F)(F)F)c2C2CCCC2)c1.
What is the InChIKey of [2-[2-cyclopentyl-3-(trifluoromethyl)phenyl]-4-methylphenyl] carbamate?
The InChIKey is IZNOGDCRCSOJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO2/c1-12-9-10-17(26-19(24)25)15(11-12)14-7-4-8-16(20(21,22)23)18(14)13-5-2-3-6-13/h4,7-11,13H,2-3,5-6H2,1H3,(H2,24,25).
What are the key properties of [2-[2-cyclopentyl-3-(trifluoromethyl)phenyl]-4-methylphenyl] carbamate?
[2-[2-cyclopentyl-3-(trifluoromethyl)phenyl]-4-methylphenyl] carbamate has a molecular weight of 363.38 g/mol, XLogP of 5.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-cyclopentyl-3-(trifluoromethyl)phenyl]-4-methylphenyl] carbamate is sourced from PubChem (CID 67742585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).