(4-tert-butylphenyl)methyl N-(4-fluorophenyl)carbamate

C18H20FNO2 — CID 823436

IUPAC(4-tert-butylphenyl)methyl N-(4-fluorophenyl)carbamate
SMILESCC(C)(C)c1ccc(COC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO2/c1-18(2,3)14-6-4-13(5-7-14)12-22-17(21)20-16-10-8-15(19)9-11-16/h4-11H,12H2,1-3H3,(H,20,21)
InChIKeyWUQLFRLKEHWMMG-UHFFFAOYSA-N
MW301.36 g/mol
LogP4.87
Rot. Bonds3

About (4-tert-butylphenyl)methyl N-(4-fluorophenyl)carbamate

(4-tert-butylphenyl)methyl N-(4-fluorophenyl)carbamate (PubChem CID 823436) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is (4-tert-butylphenyl)methyl N-(4-fluorophenyl)carbamate.

Molecular Properties

Compound Name(4-tert-butylphenyl)methyl N-(4-fluorophenyl)carbamate
PubChem CID823436
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name(4-tert-butylphenyl)methyl N-(4-fluorophenyl)carbamate
SMILESCC(C)(C)c1ccc(COC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO2/c1-18(2,3)14-6-4-13(5-7-14)12-22-17(21)20-16-10-8-15(19)9-11-16/h4-11H,12H2,1-3H3,(H,20,21)
InChIKeyWUQLFRLKEHWMMG-UHFFFAOYSA-N
XLogP4.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)methyl N-(4-fluorophenyl)carbamate?
The IUPAC name of (4-tert-butylphenyl)methyl N-(4-fluorophenyl)carbamate (CID 823436) is (4-tert-butylphenyl)methyl N-(4-fluorophenyl)carbamate.
What is the SMILES notation for (4-tert-butylphenyl)methyl N-(4-fluorophenyl)carbamate?
The canonical SMILES for (4-tert-butylphenyl)methyl N-(4-fluorophenyl)carbamate is CC(C)(C)c1ccc(COC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of (4-tert-butylphenyl)methyl N-(4-fluorophenyl)carbamate?
The InChIKey is WUQLFRLKEHWMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-18(2,3)14-6-4-13(5-7-14)12-22-17(21)20-16-10-8-15(19)9-11-16/h4-11H,12H2,1-3H3,(H,20,21).
What are the key properties of (4-tert-butylphenyl)methyl N-(4-fluorophenyl)carbamate?
(4-tert-butylphenyl)methyl N-(4-fluorophenyl)carbamate has a molecular weight of 301.36 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)methyl N-(4-fluorophenyl)carbamate is sourced from PubChem (CID 823436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).