3-(4-bromophenyl)butan-2-yl carbamate

C11H14BrNO2 — CID 140617164

IUPAC3-(4-bromophenyl)butan-2-yl carbamate
SMILESCC(OC(N)=O)C(C)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO2/c1-7(8(2)15-11(13)14)9-3-5-10(12)6-4-9/h3-8H,1-2H3,(H2,13,14)
InChIKeyURSHLLSZIOBZKX-UHFFFAOYSA-N
MW272.14 g/mol
LogP3.04
Rot. Bonds3

About 3-(4-bromophenyl)butan-2-yl carbamate

3-(4-bromophenyl)butan-2-yl carbamate (PubChem CID 140617164) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 3-(4-bromophenyl)butan-2-yl carbamate.

Molecular Properties

Compound Name3-(4-bromophenyl)butan-2-yl carbamate
PubChem CID140617164
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name3-(4-bromophenyl)butan-2-yl carbamate
SMILESCC(OC(N)=O)C(C)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO2/c1-7(8(2)15-11(13)14)9-3-5-10(12)6-4-9/h3-8H,1-2H3,(H2,13,14)
InChIKeyURSHLLSZIOBZKX-UHFFFAOYSA-N
XLogP3.04
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;methyl 3-(4-bromophenyl)-2-methylbutanoate
CID 142474459
[(2S)-2-(4-bromophenyl)propyl] carbamate
CID 175558973
2-amino-2-(4-bromophenyl)acetamide;ethane
CID 163255777
[(1S)-1-(4-bromophenyl)-3-fluoropropyl] carbamate
CID 142806697
[(1R)-1-(4-bromophenyl)ethyl] acetate
CID 11770642
[4-acetyloxy-4-(4-bromophenyl)-3-methylbutan-2-yl] acetate
CID 137370569
2-(4-bromophenyl)-2-sulfanylacetamide
CID 173431323
4-(4-bromophenyl)-2-oxopentanamide
CID 59163793
3-hydroxybutan-2-yl carbamate
CID 20700654
[(1S,2S)-1-(3,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate
CID 137375869
ethyl (3S)-3-(4-bromophenyl)butanoate
CID 90210718
1-[(1S)-1-(4-bromophenyl)ethyl]-3-methylurea
CID 106831663

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)butan-2-yl carbamate?
The IUPAC name of 3-(4-bromophenyl)butan-2-yl carbamate (CID 140617164) is 3-(4-bromophenyl)butan-2-yl carbamate.
What is the SMILES notation for 3-(4-bromophenyl)butan-2-yl carbamate?
The canonical SMILES for 3-(4-bromophenyl)butan-2-yl carbamate is CC(OC(N)=O)C(C)c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)butan-2-yl carbamate?
The InChIKey is URSHLLSZIOBZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-7(8(2)15-11(13)14)9-3-5-10(12)6-4-9/h3-8H,1-2H3,(H2,13,14).
What are the key properties of 3-(4-bromophenyl)butan-2-yl carbamate?
3-(4-bromophenyl)butan-2-yl carbamate has a molecular weight of 272.14 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)butan-2-yl carbamate is sourced from PubChem (CID 140617164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).