benzyl N-[(4-bromo-2-fluorophenyl)methyl]carbamate

C15H13BrFNO2 — CID 19695037

IUPACbenzyl N-[(4-bromo-2-fluorophenyl)methyl]carbamate
SMILESO=C(NCc1ccc(Br)cc1F)OCc1ccccc1
InChIInChI=1S/C15H13BrFNO2/c16-13-7-6-12(14(17)8-13)9-18-15(19)20-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,19)
InChIKeyQAEQKHJIVDYDGZ-UHFFFAOYSA-N
MW338.18 g/mol
LogP4.01
Rot. Bonds4

About benzyl N-[(4-bromo-2-fluorophenyl)methyl]carbamate

benzyl N-[(4-bromo-2-fluorophenyl)methyl]carbamate (PubChem CID 19695037) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is benzyl N-[(4-bromo-2-fluorophenyl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(4-bromo-2-fluorophenyl)methyl]carbamate
PubChem CID19695037
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC Namebenzyl N-[(4-bromo-2-fluorophenyl)methyl]carbamate
SMILESO=C(NCc1ccc(Br)cc1F)OCc1ccccc1
InChIInChI=1S/C15H13BrFNO2/c16-13-7-6-12(14(17)8-13)9-18-15(19)20-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,19)
InChIKeyQAEQKHJIVDYDGZ-UHFFFAOYSA-N
XLogP4.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze benzyl N-[(4-bromo-2-fluorophenyl)methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(4-bromo-2-fluorophenyl)methyl]carbamate?
The IUPAC name of benzyl N-[(4-bromo-2-fluorophenyl)methyl]carbamate (CID 19695037) is benzyl N-[(4-bromo-2-fluorophenyl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(4-bromo-2-fluorophenyl)methyl]carbamate?
The canonical SMILES for benzyl N-[(4-bromo-2-fluorophenyl)methyl]carbamate is O=C(NCc1ccc(Br)cc1F)OCc1ccccc1.
What is the InChIKey of benzyl N-[(4-bromo-2-fluorophenyl)methyl]carbamate?
The InChIKey is QAEQKHJIVDYDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c16-13-7-6-12(14(17)8-13)9-18-15(19)20-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,19).
What are the key properties of benzyl N-[(4-bromo-2-fluorophenyl)methyl]carbamate?
benzyl N-[(4-bromo-2-fluorophenyl)methyl]carbamate has a molecular weight of 338.18 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(4-bromo-2-fluorophenyl)methyl]carbamate is sourced from PubChem (CID 19695037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).