tert-butyl N-[1-(4-bromophenyl)cyclobutyl]carbamate

C15H20BrNO2 — CID 52988051

IUPACtert-butyl N-[1-(4-bromophenyl)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C15H20BrNO2/c1-14(2,3)19-13(18)17-15(9-4-10-15)11-5-7-12(16)8-6-11/h5-8H,4,9-10H2,1-3H3,(H,17,18)
InChIKeyDVTBDRZBNXFPLU-UHFFFAOYSA-N
MW326.23 g/mol
LogP4.35
Rot. Bonds2

About tert-butyl N-[1-(4-bromophenyl)cyclobutyl]carbamate

tert-butyl N-[1-(4-bromophenyl)cyclobutyl]carbamate (PubChem CID 52988051) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is tert-butyl N-[1-(4-bromophenyl)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-bromophenyl)cyclobutyl]carbamate
PubChem CID52988051
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Nametert-butyl N-[1-(4-bromophenyl)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C15H20BrNO2/c1-14(2,3)19-13(18)17-15(9-4-10-15)11-5-7-12(16)8-6-11/h5-8H,4,9-10H2,1-3H3,(H,17,18)
InChIKeyDVTBDRZBNXFPLU-UHFFFAOYSA-N
XLogP4.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze tert-butyl N-[1-(4-bromophenyl)cyclobutyl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-[(4-bromophenyl)methyl]carbamate
CID 12453839
tert-butyl N-(1-(4-bromophenyl)ethyl)carbamate
CID 11983730
[2-(4-Bromo-phenyl)ethyl]-carbamic acid tert-butyl ester
CID 14221818
N-(2-(4-Bromophenyl)propan-2-YL)acetamide
CID 39616691
(R)-tert-Butyl (1-(4-bromophenyl)ethyl)carbamate
CID 52987808
(S)-tert-Butyl (1-(4-bromophenyl)ethyl)carbamate
CID 56973617
tert-butyl N-[(5-bromo-2-methylphenyl)methyl]carbamate
CID 57813315
tert-butyl N-[(1s,3s)-1-(4-bromophenyl)-3-hydroxycyclobutyl]carbamate
CID 58229876
1,1-Dimethylethyl N-(2-amino-2-(4-bromophenyl)ethyl)carbamate
CID 16244627
tert-butyl N-[(1S)-3-bromo-1-(4-bromophenyl)propyl]carbamate
CID 86314467
tert-Butyl 3-amino-3-(4-bromophenyl)azetidine-1-carboxylate
CID 125514597
tert-butyl N-[(1S)-1-(4-bromophenyl)-1-cyano-2,2,2-trifluoroethyl]carbamate
CID 168351620

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-bromophenyl)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-bromophenyl)cyclobutyl]carbamate (CID 52988051) is tert-butyl N-[1-(4-bromophenyl)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-bromophenyl)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-bromophenyl)cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1(c2ccc(Br)cc2)CCC1.
What is the InChIKey of tert-butyl N-[1-(4-bromophenyl)cyclobutyl]carbamate?
The InChIKey is DVTBDRZBNXFPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-14(2,3)19-13(18)17-15(9-4-10-15)11-5-7-12(16)8-6-11/h5-8H,4,9-10H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[1-(4-bromophenyl)cyclobutyl]carbamate?
tert-butyl N-[1-(4-bromophenyl)cyclobutyl]carbamate has a molecular weight of 326.23 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-bromophenyl)cyclobutyl]carbamate is sourced from PubChem (CID 52988051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).