tert-butyl N-[1-[4-[2-(2-fluorophenyl)acetyl]phenyl]cyclobutyl]carbamate

C23H26FNO3 — CID 58524628

IUPACtert-butyl N-[1-[4-[2-(2-fluorophenyl)acetyl]phenyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(C(=O)Cc3ccccc3F)cc2)CCC1
InChIInChI=1S/C23H26FNO3/c1-22(2,3)28-21(27)25-23(13-6-14-23)18-11-9-16(10-12-18)20(26)15-17-7-4-5-8-19(17)24/h4-5,7-12H,6,13-15H2,1-3H3,(H,25,27)
InChIKeyWUDNDCZOXZIYEB-UHFFFAOYSA-N
MW383.46 g/mol
LogP5.16
Rot. Bonds5

About tert-butyl N-[1-[4-[2-(2-fluorophenyl)acetyl]phenyl]cyclobutyl]carbamate

tert-butyl N-[1-[4-[2-(2-fluorophenyl)acetyl]phenyl]cyclobutyl]carbamate (PubChem CID 58524628) has the molecular formula C23H26FNO3 and a molecular weight of 383.46 g/mol. Its IUPAC name is tert-butyl N-[1-[4-[2-(2-fluorophenyl)acetyl]phenyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-[2-(2-fluorophenyl)acetyl]phenyl]cyclobutyl]carbamate
PubChem CID58524628
Molecular FormulaC23H26FNO3
Molecular Weight383.46 g/mol
Exact Mass383.19
IUPAC Nametert-butyl N-[1-[4-[2-(2-fluorophenyl)acetyl]phenyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(C(=O)Cc3ccccc3F)cc2)CCC1
InChIInChI=1S/C23H26FNO3/c1-22(2,3)28-21(27)25-23(13-6-14-23)18-11-9-16(10-12-18)20(26)15-17-7-4-5-8-19(17)24/h4-5,7-12H,6,13-15H2,1-3H3,(H,25,27)
InChIKeyWUDNDCZOXZIYEB-UHFFFAOYSA-N
XLogP5.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.46
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-[2-(2-fluorophenyl)acetyl]phenyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-[2-(2-fluorophenyl)acetyl]phenyl]cyclobutyl]carbamate (CID 58524628) is tert-butyl N-[1-[4-[2-(2-fluorophenyl)acetyl]phenyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-[2-(2-fluorophenyl)acetyl]phenyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-[2-(2-fluorophenyl)acetyl]phenyl]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1(c2ccc(C(=O)Cc3ccccc3F)cc2)CCC1.
What is the InChIKey of tert-butyl N-[1-[4-[2-(2-fluorophenyl)acetyl]phenyl]cyclobutyl]carbamate?
The InChIKey is WUDNDCZOXZIYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO3/c1-22(2,3)28-21(27)25-23(13-6-14-23)18-11-9-16(10-12-18)20(26)15-17-7-4-5-8-19(17)24/h4-5,7-12H,6,13-15H2,1-3H3,(H,25,27).
What are the key properties of tert-butyl N-[1-[4-[2-(2-fluorophenyl)acetyl]phenyl]cyclobutyl]carbamate?
tert-butyl N-[1-[4-[2-(2-fluorophenyl)acetyl]phenyl]cyclobutyl]carbamate has a molecular weight of 383.46 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-[2-(2-fluorophenyl)acetyl]phenyl]cyclobutyl]carbamate is sourced from PubChem (CID 58524628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).