tert-butyl N-(2-bromophenyl)-N-cyclohexylcarbamate

C17H24BrNO2 — CID 162409162

IUPACtert-butyl N-(2-bromophenyl)-N-cyclohexylcarbamate
SMILESCC(C)(C)OC(=O)N(c1ccccc1Br)C1CCCCC1
InChIInChI=1S/C17H24BrNO2/c1-17(2,3)21-16(20)19(13-9-5-4-6-10-13)15-12-8-7-11-14(15)18/h7-8,11-13H,4-6,9-10H2,1-3H3
InChIKeyAGZYGNVGNNAASK-UHFFFAOYSA-N
MW354.29 g/mol
LogP5.52
Rot. Bonds2

About tert-butyl N-(2-bromophenyl)-N-cyclohexylcarbamate

tert-butyl N-(2-bromophenyl)-N-cyclohexylcarbamate (PubChem CID 162409162) has the molecular formula C17H24BrNO2 and a molecular weight of 354.29 g/mol. Its IUPAC name is tert-butyl N-(2-bromophenyl)-N-cyclohexylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-bromophenyl)-N-cyclohexylcarbamate
PubChem CID162409162
Molecular FormulaC17H24BrNO2
Molecular Weight354.29 g/mol
Exact Mass353.10
IUPAC Nametert-butyl N-(2-bromophenyl)-N-cyclohexylcarbamate
SMILESCC(C)(C)OC(=O)N(c1ccccc1Br)C1CCCCC1
InChIInChI=1S/C17H24BrNO2/c1-17(2,3)21-16(20)19(13-9-5-4-6-10-13)15-12-8-7-11-14(15)18/h7-8,11-13H,4-6,9-10H2,1-3H3
InChIKeyAGZYGNVGNNAASK-UHFFFAOYSA-N
XLogP5.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.29
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl N-(2-bromophenyl)-N-cyclohexylcarbamate 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 4-(3-bromophenyl)piperazine-1-carboxylate
CID 10882380
N-(tert-Butoxycarbonyl)-2-bromoaniline
CID 3571360
Tert-butyl 4-((4-bromophenyl)amino)piperidine-1-carboxylate
CID 11210451
(4-Bromo-phenyl)-ethyl-carbamic acid tert-butyl ester
CID 67450072
Tert-butyl 5-(4-bromophenyl)-2,5-diazabicyclo[2.2.2]octane-2-carboxylate
CID 129115771
Tert-butyl 4-(4-bromophenyl)piperazine-1-carboxylate
CID 11824027
N-(2-Bromophenyl)-N-methylacetamide
CID 11031599
tert-butyl N-(1-(2-bromophenyl)pyrrolidin-3-yl)carbamate
CID 165929185
methyl N-(2-bromo-4-fluorophenyl)-N-cyclohexylcarbamate
CID 54672514
methyl N-(2-bromo-4-fluorophenyl)-N-propan-2-ylcarbamate
CID 101549344
methyl N-(2-bromo-6-fluorophenyl)-N-cyclohexylcarbamate
CID 121004715
methyl N-(2-bromo-5-fluorophenyl)-N-cyclohexylcarbamate
CID 135079076

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-bromophenyl)-N-cyclohexylcarbamate?
The IUPAC name of tert-butyl N-(2-bromophenyl)-N-cyclohexylcarbamate (CID 162409162) is tert-butyl N-(2-bromophenyl)-N-cyclohexylcarbamate.
What is the SMILES notation for tert-butyl N-(2-bromophenyl)-N-cyclohexylcarbamate?
The canonical SMILES for tert-butyl N-(2-bromophenyl)-N-cyclohexylcarbamate is CC(C)(C)OC(=O)N(c1ccccc1Br)C1CCCCC1.
What is the InChIKey of tert-butyl N-(2-bromophenyl)-N-cyclohexylcarbamate?
The InChIKey is AGZYGNVGNNAASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO2/c1-17(2,3)21-16(20)19(13-9-5-4-6-10-13)15-12-8-7-11-14(15)18/h7-8,11-13H,4-6,9-10H2,1-3H3.
What are the key properties of tert-butyl N-(2-bromophenyl)-N-cyclohexylcarbamate?
tert-butyl N-(2-bromophenyl)-N-cyclohexylcarbamate has a molecular weight of 354.29 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-bromophenyl)-N-cyclohexylcarbamate is sourced from PubChem (CID 162409162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).