tert-butyl N-benzyl-N-(4-fluorophenyl)carbamate

C18H20FNO2 — CID 156599472

IUPACtert-butyl N-benzyl-N-(4-fluorophenyl)carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO2/c1-18(2,3)22-17(21)20(13-14-7-5-4-6-8-14)16-11-9-15(19)10-12-16/h4-12H,13H2,1-3H3
InChIKeyCEELENQWVSRQOI-UHFFFAOYSA-N
MW301.36 g/mol
LogP4.77
Rot. Bonds3

About tert-butyl N-benzyl-N-(4-fluorophenyl)carbamate

tert-butyl N-benzyl-N-(4-fluorophenyl)carbamate (PubChem CID 156599472) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-(4-fluorophenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-(4-fluorophenyl)carbamate
PubChem CID156599472
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Nametert-butyl N-benzyl-N-(4-fluorophenyl)carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO2/c1-18(2,3)22-17(21)20(13-14-7-5-4-6-8-14)16-11-9-15(19)10-12-16/h4-12H,13H2,1-3H3
InChIKeyCEELENQWVSRQOI-UHFFFAOYSA-N
XLogP4.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-(4-fluorophenyl)carbamate?
The IUPAC name of tert-butyl N-benzyl-N-(4-fluorophenyl)carbamate (CID 156599472) is tert-butyl N-benzyl-N-(4-fluorophenyl)carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-(4-fluorophenyl)carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-(4-fluorophenyl)carbamate is CC(C)(C)OC(=O)N(Cc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of tert-butyl N-benzyl-N-(4-fluorophenyl)carbamate?
The InChIKey is CEELENQWVSRQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-18(2,3)22-17(21)20(13-14-7-5-4-6-8-14)16-11-9-15(19)10-12-16/h4-12H,13H2,1-3H3.
What are the key properties of tert-butyl N-benzyl-N-(4-fluorophenyl)carbamate?
tert-butyl N-benzyl-N-(4-fluorophenyl)carbamate has a molecular weight of 301.36 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-(4-fluorophenyl)carbamate is sourced from PubChem (CID 156599472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).