benzyl N-(4-bromo-3-fluorophenyl)carbamate

C14H11BrFNO2 — CID 67274244

IUPACbenzyl N-(4-bromo-3-fluorophenyl)carbamate
SMILESO=C(Nc1ccc(Br)c(F)c1)OCc1ccccc1
InChIInChI=1S/C14H11BrFNO2/c15-12-7-6-11(8-13(12)16)17-14(18)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18)
InChIKeyUPTMRBYILBFUPA-UHFFFAOYSA-N
MW324.15 g/mol
LogP4.34
Rot. Bonds3

About benzyl N-(4-bromo-3-fluorophenyl)carbamate

benzyl N-(4-bromo-3-fluorophenyl)carbamate (PubChem CID 67274244) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is benzyl N-(4-bromo-3-fluorophenyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(4-bromo-3-fluorophenyl)carbamate
PubChem CID67274244
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC Namebenzyl N-(4-bromo-3-fluorophenyl)carbamate
SMILESO=C(Nc1ccc(Br)c(F)c1)OCc1ccccc1
InChIInChI=1S/C14H11BrFNO2/c15-12-7-6-11(8-13(12)16)17-14(18)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18)
InChIKeyUPTMRBYILBFUPA-UHFFFAOYSA-N
XLogP4.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-bromo-3-fluorophenyl)carbamate?
The IUPAC name of benzyl N-(4-bromo-3-fluorophenyl)carbamate (CID 67274244) is benzyl N-(4-bromo-3-fluorophenyl)carbamate.
What is the SMILES notation for benzyl N-(4-bromo-3-fluorophenyl)carbamate?
The canonical SMILES for benzyl N-(4-bromo-3-fluorophenyl)carbamate is O=C(Nc1ccc(Br)c(F)c1)OCc1ccccc1.
What is the InChIKey of benzyl N-(4-bromo-3-fluorophenyl)carbamate?
The InChIKey is UPTMRBYILBFUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c15-12-7-6-11(8-13(12)16)17-14(18)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18).
What are the key properties of benzyl N-(4-bromo-3-fluorophenyl)carbamate?
benzyl N-(4-bromo-3-fluorophenyl)carbamate has a molecular weight of 324.15 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-bromo-3-fluorophenyl)carbamate is sourced from PubChem (CID 67274244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).