benzyl N-[5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-yl]carbamate

C25H22F3NO2 — CID 141275715

IUPACbenzyl N-[5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESO=C(NC1CCc2cc(Cc3cccc(C(F)(F)F)c3)ccc21)OCc1ccccc1
InChIInChI=1S/C25H22F3NO2/c26-25(27,28)21-8-4-7-18(15-21)13-19-9-11-22-20(14-19)10-12-23(22)29-24(30)31-16-17-5-2-1-3-6-17/h1-9,11,14-15,23H,10,12-13,16H2,(H,29,30)
InChIKeyGCKPRCSFJPNUPT-UHFFFAOYSA-N
MW425.45 g/mol
LogP6.21
Rot. Bonds5

About benzyl N-[5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-yl]carbamate

benzyl N-[5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-yl]carbamate (PubChem CID 141275715) has the molecular formula C25H22F3NO2 and a molecular weight of 425.45 g/mol. Its IUPAC name is benzyl N-[5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-yl]carbamate
PubChem CID141275715
Molecular FormulaC25H22F3NO2
Molecular Weight425.45 g/mol
Exact Mass425.16
IUPAC Namebenzyl N-[5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESO=C(NC1CCc2cc(Cc3cccc(C(F)(F)F)c3)ccc21)OCc1ccccc1
InChIInChI=1S/C25H22F3NO2/c26-25(27,28)21-8-4-7-18(15-21)13-19-9-11-22-20(14-19)10-12-23(22)29-24(30)31-16-17-5-2-1-3-6-17/h1-9,11,14-15,23H,10,12-13,16H2,(H,29,30)
InChIKeyGCKPRCSFJPNUPT-UHFFFAOYSA-N
XLogP6.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.45
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze benzyl N-[5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl N-[5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-yl]carbamate?
The IUPAC name of benzyl N-[5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-yl]carbamate (CID 141275715) is benzyl N-[5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-yl]carbamate.
What is the SMILES notation for benzyl N-[5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-yl]carbamate?
The canonical SMILES for benzyl N-[5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-yl]carbamate is O=C(NC1CCc2cc(Cc3cccc(C(F)(F)F)c3)ccc21)OCc1ccccc1.
What is the InChIKey of benzyl N-[5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-yl]carbamate?
The InChIKey is GCKPRCSFJPNUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3NO2/c26-25(27,28)21-8-4-7-18(15-21)13-19-9-11-22-20(14-19)10-12-23(22)29-24(30)31-16-17-5-2-1-3-6-17/h1-9,11,14-15,23H,10,12-13,16H2,(H,29,30).
What are the key properties of benzyl N-[5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-yl]carbamate?
benzyl N-[5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-yl]carbamate has a molecular weight of 425.45 g/mol, XLogP of 6.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-yl]carbamate is sourced from PubChem (CID 141275715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).