methyl N-(2-bromophenyl)-N-cyclobutylcarbamate

C12H14BrNO2 — CID 150065515

IUPACmethyl N-(2-bromophenyl)-N-cyclobutylcarbamate
SMILESCOC(=O)N(c1ccccc1Br)C1CCC1
InChIInChI=1S/C12H14BrNO2/c1-16-12(15)14(9-5-4-6-9)11-8-3-2-7-10(11)13/h2-3,7-9H,4-6H2,1H3
InChIKeyDOEQVSWZPLGQAO-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.57
Rot. Bonds2

About methyl N-(2-bromophenyl)-N-cyclobutylcarbamate

methyl N-(2-bromophenyl)-N-cyclobutylcarbamate (PubChem CID 150065515) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is methyl N-(2-bromophenyl)-N-cyclobutylcarbamate.

Molecular Properties

Compound Namemethyl N-(2-bromophenyl)-N-cyclobutylcarbamate
PubChem CID150065515
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Namemethyl N-(2-bromophenyl)-N-cyclobutylcarbamate
SMILESCOC(=O)N(c1ccccc1Br)C1CCC1
InChIInChI=1S/C12H14BrNO2/c1-16-12(15)14(9-5-4-6-9)11-8-3-2-7-10(11)13/h2-3,7-9H,4-6H2,1H3
InChIKeyDOEQVSWZPLGQAO-UHFFFAOYSA-N
XLogP3.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-(2-bromo-N-methylanilino)piperidine-1-carboxylic acid
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trans-(1S,2S)-2-[(2-bromophenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
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2-(2-bromo-N-methylsulfonylanilino)-N-cyclopentyl-N-methylacetamide
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methyl N-(4-acetamidophenyl)-N-cyclopropylcarbamate
CID 113095123
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Frequently Asked Questions

What is the IUPAC name of methyl N-(2-bromophenyl)-N-cyclobutylcarbamate?
The IUPAC name of methyl N-(2-bromophenyl)-N-cyclobutylcarbamate (CID 150065515) is methyl N-(2-bromophenyl)-N-cyclobutylcarbamate.
What is the SMILES notation for methyl N-(2-bromophenyl)-N-cyclobutylcarbamate?
The canonical SMILES for methyl N-(2-bromophenyl)-N-cyclobutylcarbamate is COC(=O)N(c1ccccc1Br)C1CCC1.
What is the InChIKey of methyl N-(2-bromophenyl)-N-cyclobutylcarbamate?
The InChIKey is DOEQVSWZPLGQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-16-12(15)14(9-5-4-6-9)11-8-3-2-7-10(11)13/h2-3,7-9H,4-6H2,1H3.
What are the key properties of methyl N-(2-bromophenyl)-N-cyclobutylcarbamate?
methyl N-(2-bromophenyl)-N-cyclobutylcarbamate has a molecular weight of 284.15 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-bromophenyl)-N-cyclobutylcarbamate is sourced from PubChem (CID 150065515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).