tert-butyl N-[2-[4-(2-fluorophenyl)phenyl]-2-phenylethyl]carbamate

C25H26FNO2 — CID 57240796

IUPACtert-butyl N-[2-[4-(2-fluorophenyl)phenyl]-2-phenylethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(c1ccccc1)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C25H26FNO2/c1-25(2,3)29-24(28)27-17-22(18-9-5-4-6-10-18)20-15-13-19(14-16-20)21-11-7-8-12-23(21)26/h4-16,22H,17H2,1-3H3,(H,27,28)
InChIKeyRARLQNHMXMPACT-UHFFFAOYSA-N
MW391.49 g/mol
LogP6.15
Rot. Bonds5

About tert-butyl N-[2-[4-(2-fluorophenyl)phenyl]-2-phenylethyl]carbamate

tert-butyl N-[2-[4-(2-fluorophenyl)phenyl]-2-phenylethyl]carbamate (PubChem CID 57240796) has the molecular formula C25H26FNO2 and a molecular weight of 391.49 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(2-fluorophenyl)phenyl]-2-phenylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(2-fluorophenyl)phenyl]-2-phenylethyl]carbamate
PubChem CID57240796
Molecular FormulaC25H26FNO2
Molecular Weight391.49 g/mol
Exact Mass391.19
IUPAC Nametert-butyl N-[2-[4-(2-fluorophenyl)phenyl]-2-phenylethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(c1ccccc1)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C25H26FNO2/c1-25(2,3)29-24(28)27-17-22(18-9-5-4-6-10-18)20-15-13-19(14-16-20)21-11-7-8-12-23(21)26/h4-16,22H,17H2,1-3H3,(H,27,28)
InChIKeyRARLQNHMXMPACT-UHFFFAOYSA-N
XLogP6.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.49
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(2-fluorophenyl)phenyl]-2-phenylethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(2-fluorophenyl)phenyl]-2-phenylethyl]carbamate (CID 57240796) is tert-butyl N-[2-[4-(2-fluorophenyl)phenyl]-2-phenylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(2-fluorophenyl)phenyl]-2-phenylethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(2-fluorophenyl)phenyl]-2-phenylethyl]carbamate is CC(C)(C)OC(=O)NCC(c1ccccc1)c1ccc(-c2ccccc2F)cc1.
What is the InChIKey of tert-butyl N-[2-[4-(2-fluorophenyl)phenyl]-2-phenylethyl]carbamate?
The InChIKey is RARLQNHMXMPACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FNO2/c1-25(2,3)29-24(28)27-17-22(18-9-5-4-6-10-18)20-15-13-19(14-16-20)21-11-7-8-12-23(21)26/h4-16,22H,17H2,1-3H3,(H,27,28).
What are the key properties of tert-butyl N-[2-[4-(2-fluorophenyl)phenyl]-2-phenylethyl]carbamate?
tert-butyl N-[2-[4-(2-fluorophenyl)phenyl]-2-phenylethyl]carbamate has a molecular weight of 391.49 g/mol, XLogP of 6.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(2-fluorophenyl)phenyl]-2-phenylethyl]carbamate is sourced from PubChem (CID 57240796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).