tert-butyl N-(3-bromophenyl)carbamate

C11H14BrNO2 — CID 2757254

IUPACtert-butyl N-(3-bromophenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C11H14BrNO2/c1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9/h4-7H,1-3H3,(H,13,14)
InChIKeyVDFBCTSISJDKNW-UHFFFAOYSA-N
MW272.14 g/mol
LogP3.80
Rot. Bonds1

About tert-butyl N-(3-bromophenyl)carbamate

tert-butyl N-(3-bromophenyl)carbamate (PubChem CID 2757254) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is tert-butyl N-(3-bromophenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-bromophenyl)carbamate
PubChem CID2757254
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Nametert-butyl N-(3-bromophenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C11H14BrNO2/c1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9/h4-7H,1-3H3,(H,13,14)
InChIKeyVDFBCTSISJDKNW-UHFFFAOYSA-N
XLogP3.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-bromophenyl)carbamate?
The IUPAC name of tert-butyl N-(3-bromophenyl)carbamate (CID 2757254) is tert-butyl N-(3-bromophenyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-bromophenyl)carbamate?
The canonical SMILES for tert-butyl N-(3-bromophenyl)carbamate is CC(C)(C)OC(=O)Nc1cccc(Br)c1.
What is the InChIKey of tert-butyl N-(3-bromophenyl)carbamate?
The InChIKey is VDFBCTSISJDKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9/h4-7H,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-(3-bromophenyl)carbamate?
tert-butyl N-(3-bromophenyl)carbamate has a molecular weight of 272.14 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-bromophenyl)carbamate is sourced from PubChem (CID 2757254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).