tert-butyl N-[3-(2,6-dibromoanilino)cyclobutyl]carbamate

C15H20Br2N2O2 — CID 107597184

IUPACtert-butyl N-[3-(2,6-dibromoanilino)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(Nc2c(Br)cccc2Br)C1
InChIInChI=1S/C15H20Br2N2O2/c1-15(2,3)21-14(20)19-10-7-9(8-10)18-13-11(16)5-4-6-12(13)17/h4-6,9-10,18H,7-8H2,1-3H3,(H,19,20)
InChIKeyRHOQMKJKUNJCDG-UHFFFAOYSA-N
MW420.15 g/mol
LogP4.68
Rot. Bonds3

About tert-butyl N-[3-(2,6-dibromoanilino)cyclobutyl]carbamate

tert-butyl N-[3-(2,6-dibromoanilino)cyclobutyl]carbamate (PubChem CID 107597184) has the molecular formula C15H20Br2N2O2 and a molecular weight of 420.15 g/mol. Its IUPAC name is tert-butyl N-[3-(2,6-dibromoanilino)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2,6-dibromoanilino)cyclobutyl]carbamate
PubChem CID107597184
Molecular FormulaC15H20Br2N2O2
Molecular Weight420.15 g/mol
Exact Mass417.99
IUPAC Nametert-butyl N-[3-(2,6-dibromoanilino)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(Nc2c(Br)cccc2Br)C1
InChIInChI=1S/C15H20Br2N2O2/c1-15(2,3)21-14(20)19-10-7-9(8-10)18-13-11(16)5-4-6-12(13)17/h4-6,9-10,18H,7-8H2,1-3H3,(H,19,20)
InChIKeyRHOQMKJKUNJCDG-UHFFFAOYSA-N
XLogP4.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.15
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(2-bromo-6-methoxyanilino)cyclobutyl]carbamate
CID 178183775
tert-butyl N-[4-(2,6-dibromoanilino)cyclohexyl]carbamate
CID 107597180
tert-butyl N-[3-(2,4,6-tribromoanilino)cyclobutyl]carbamate
CID 103759372
tert-butyl N-[3-(2-ethyl-6-methylanilino)cyclobutyl]carbamate
CID 103759544
tert-butyl N-[3-[(3-bromo-2-hydroxyphenyl)methylamino]cyclobutyl]carbamate
CID 107239083
tert-butyl N-[3-(3-bromo-2-methylanilino)cyclopentyl]carbamate
CID 107629946
tert-butyl N-[3-(2,4,6-trichloroanilino)cyclobutyl]carbamate
CID 103759373
tert-butyl N-[3-(3-bromo-4-chloroanilino)cyclobutyl]carbamate
CID 80560979
tert-butyl N-[4-(3-bromo-2-methylanilino)cyclohexyl]carbamate
CID 107629945
tert-butyl N-[3-[(3-bromophenyl)methylamino]cyclobutyl]carbamate
CID 80560677
tert-butyl N-[4-(2-bromo-3-methylanilino)cyclohexyl]carbamate
CID 103821402
tert-butyl N-[3-(3-methylanilino)cyclopentyl]carbamate
CID 79461940

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2,6-dibromoanilino)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2,6-dibromoanilino)cyclobutyl]carbamate (CID 107597184) is tert-butyl N-[3-(2,6-dibromoanilino)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2,6-dibromoanilino)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2,6-dibromoanilino)cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CC(Nc2c(Br)cccc2Br)C1.
What is the InChIKey of tert-butyl N-[3-(2,6-dibromoanilino)cyclobutyl]carbamate?
The InChIKey is RHOQMKJKUNJCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2N2O2/c1-15(2,3)21-14(20)19-10-7-9(8-10)18-13-11(16)5-4-6-12(13)17/h4-6,9-10,18H,7-8H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[3-(2,6-dibromoanilino)cyclobutyl]carbamate?
tert-butyl N-[3-(2,6-dibromoanilino)cyclobutyl]carbamate has a molecular weight of 420.15 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2,6-dibromoanilino)cyclobutyl]carbamate is sourced from PubChem (CID 107597184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).