tert-butyl N-[2-(4-bromophenyl)cyclopropyl]carbamate

C14H18BrNO2 — CID 59458338

IUPACtert-butyl N-[2-(4-bromophenyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1c1ccc(Br)cc1
InChIInChI=1S/C14H18BrNO2/c1-14(2,3)18-13(17)16-12-8-11(12)9-4-6-10(15)7-5-9/h4-7,11-12H,8H2,1-3H3,(H,16,17)
InChIKeyATYDSIJHMSGNKM-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.83
Rot. Bonds2

About tert-butyl N-[2-(4-bromophenyl)cyclopropyl]carbamate

tert-butyl N-[2-(4-bromophenyl)cyclopropyl]carbamate (PubChem CID 59458338) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is tert-butyl N-[2-(4-bromophenyl)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-bromophenyl)cyclopropyl]carbamate
PubChem CID59458338
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Nametert-butyl N-[2-(4-bromophenyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1c1ccc(Br)cc1
InChIInChI=1S/C14H18BrNO2/c1-14(2,3)18-13(17)16-12-8-11(12)9-4-6-10(15)7-5-9/h4-7,11-12H,8H2,1-3H3,(H,16,17)
InChIKeyATYDSIJHMSGNKM-UHFFFAOYSA-N
XLogP3.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-bromophenyl)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-bromophenyl)cyclopropyl]carbamate (CID 59458338) is tert-butyl N-[2-(4-bromophenyl)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-bromophenyl)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-bromophenyl)cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1CC1c1ccc(Br)cc1.
What is the InChIKey of tert-butyl N-[2-(4-bromophenyl)cyclopropyl]carbamate?
The InChIKey is ATYDSIJHMSGNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-14(2,3)18-13(17)16-12-8-11(12)9-4-6-10(15)7-5-9/h4-7,11-12H,8H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-[2-(4-bromophenyl)cyclopropyl]carbamate?
tert-butyl N-[2-(4-bromophenyl)cyclopropyl]carbamate has a molecular weight of 312.21 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-bromophenyl)cyclopropyl]carbamate is sourced from PubChem (CID 59458338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).