methyl N-(2-bromo-5-fluorophenyl)-N-cyclopropylcarbamate

C11H11BrFNO2 — CID 164678321

IUPACmethyl N-(2-bromo-5-fluorophenyl)-N-cyclopropylcarbamate
SMILESCOC(=O)N(c1cc(F)ccc1Br)C1CC1
InChIInChI=1S/C11H11BrFNO2/c1-16-11(15)14(8-3-4-8)10-6-7(13)2-5-9(10)12/h2,5-6,8H,3-4H2,1H3
InChIKeyZQJHFWGMBGDUPE-UHFFFAOYSA-N
MW288.12 g/mol
LogP3.32
Rot. Bonds2

About methyl N-(2-bromo-5-fluorophenyl)-N-cyclopropylcarbamate

methyl N-(2-bromo-5-fluorophenyl)-N-cyclopropylcarbamate (PubChem CID 164678321) has the molecular formula C11H11BrFNO2 and a molecular weight of 288.12 g/mol. Its IUPAC name is methyl N-(2-bromo-5-fluorophenyl)-N-cyclopropylcarbamate.

Molecular Properties

Compound Namemethyl N-(2-bromo-5-fluorophenyl)-N-cyclopropylcarbamate
PubChem CID164678321
Molecular FormulaC11H11BrFNO2
Molecular Weight288.12 g/mol
Exact Mass287.00
IUPAC Namemethyl N-(2-bromo-5-fluorophenyl)-N-cyclopropylcarbamate
SMILESCOC(=O)N(c1cc(F)ccc1Br)C1CC1
InChIInChI=1S/C11H11BrFNO2/c1-16-11(15)14(8-3-4-8)10-6-7(13)2-5-9(10)12/h2,5-6,8H,3-4H2,1H3
InChIKeyZQJHFWGMBGDUPE-UHFFFAOYSA-N
XLogP3.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl N-(2-bromo-5-fluorophenyl)-N-cyclopropylcarbamate?
The IUPAC name of methyl N-(2-bromo-5-fluorophenyl)-N-cyclopropylcarbamate (CID 164678321) is methyl N-(2-bromo-5-fluorophenyl)-N-cyclopropylcarbamate.
What is the SMILES notation for methyl N-(2-bromo-5-fluorophenyl)-N-cyclopropylcarbamate?
The canonical SMILES for methyl N-(2-bromo-5-fluorophenyl)-N-cyclopropylcarbamate is COC(=O)N(c1cc(F)ccc1Br)C1CC1.
What is the InChIKey of methyl N-(2-bromo-5-fluorophenyl)-N-cyclopropylcarbamate?
The InChIKey is ZQJHFWGMBGDUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO2/c1-16-11(15)14(8-3-4-8)10-6-7(13)2-5-9(10)12/h2,5-6,8H,3-4H2,1H3.
What are the key properties of methyl N-(2-bromo-5-fluorophenyl)-N-cyclopropylcarbamate?
methyl N-(2-bromo-5-fluorophenyl)-N-cyclopropylcarbamate has a molecular weight of 288.12 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-bromo-5-fluorophenyl)-N-cyclopropylcarbamate is sourced from PubChem (CID 164678321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).