1-(4-fluorophenyl)ethyl N-(4-methylphenyl)carbamate

C16H16FNO2 — CID 59606506

IUPAC1-(4-fluorophenyl)ethyl N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)OC(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO2/c1-11-3-9-15(10-4-11)18-16(19)20-12(2)13-5-7-14(17)8-6-13/h3-10,12H,1-2H3,(H,18,19)
InChIKeyVOMPHIZWSAEAAF-UHFFFAOYSA-N
MW273.31 g/mol
LogP4.44
Rot. Bonds3

About 1-(4-fluorophenyl)ethyl N-(4-methylphenyl)carbamate

1-(4-fluorophenyl)ethyl N-(4-methylphenyl)carbamate (PubChem CID 59606506) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)ethyl N-(4-methylphenyl)carbamate.

Molecular Properties

Compound Name1-(4-fluorophenyl)ethyl N-(4-methylphenyl)carbamate
PubChem CID59606506
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name1-(4-fluorophenyl)ethyl N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)OC(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO2/c1-11-3-9-15(10-4-11)18-16(19)20-12(2)13-5-7-14(17)8-6-13/h3-10,12H,1-2H3,(H,18,19)
InChIKeyVOMPHIZWSAEAAF-UHFFFAOYSA-N
XLogP4.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)ethyl N-(4-methylphenyl)carbamate?
The IUPAC name of 1-(4-fluorophenyl)ethyl N-(4-methylphenyl)carbamate (CID 59606506) is 1-(4-fluorophenyl)ethyl N-(4-methylphenyl)carbamate.
What is the SMILES notation for 1-(4-fluorophenyl)ethyl N-(4-methylphenyl)carbamate?
The canonical SMILES for 1-(4-fluorophenyl)ethyl N-(4-methylphenyl)carbamate is Cc1ccc(NC(=O)OC(C)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)ethyl N-(4-methylphenyl)carbamate?
The InChIKey is VOMPHIZWSAEAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-11-3-9-15(10-4-11)18-16(19)20-12(2)13-5-7-14(17)8-6-13/h3-10,12H,1-2H3,(H,18,19).
What are the key properties of 1-(4-fluorophenyl)ethyl N-(4-methylphenyl)carbamate?
1-(4-fluorophenyl)ethyl N-(4-methylphenyl)carbamate has a molecular weight of 273.31 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)ethyl N-(4-methylphenyl)carbamate is sourced from PubChem (CID 59606506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).