2,2,2-trichloroethyl N-[2-(4-bromophenyl)ethyl]carbamate

C11H11BrCl3NO2 — CID 11188025

IUPAC2,2,2-trichloroethyl N-[2-(4-bromophenyl)ethyl]carbamate
SMILESO=C(NCCc1ccc(Br)cc1)OCC(Cl)(Cl)Cl
InChIInChI=1S/C11H11BrCl3NO2/c12-9-3-1-8(2-4-9)5-6-16-10(17)18-7-11(13,14)15/h1-4H,5-7H2,(H,16,17)
InChIKeyUOCSIGPXDKZCHT-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.09
Rot. Bonds4

About 2,2,2-trichloroethyl N-[2-(4-bromophenyl)ethyl]carbamate

2,2,2-trichloroethyl N-[2-(4-bromophenyl)ethyl]carbamate (PubChem CID 11188025) has the molecular formula C11H11BrCl3NO2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 2,2,2-trichloroethyl N-[2-(4-bromophenyl)ethyl]carbamate.

Molecular Properties

Compound Name2,2,2-trichloroethyl N-[2-(4-bromophenyl)ethyl]carbamate
PubChem CID11188025
Molecular FormulaC11H11BrCl3NO2
Molecular Weight375.48 g/mol
Exact Mass372.90
IUPAC Name2,2,2-trichloroethyl N-[2-(4-bromophenyl)ethyl]carbamate
SMILESO=C(NCCc1ccc(Br)cc1)OCC(Cl)(Cl)Cl
InChIInChI=1S/C11H11BrCl3NO2/c12-9-3-1-8(2-4-9)5-6-16-10(17)18-7-11(13,14)15/h1-4H,5-7H2,(H,16,17)
InChIKeyUOCSIGPXDKZCHT-UHFFFAOYSA-N
XLogP4.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-bromophenyl)ethyl]-1-cyanoformamide
CID 115172450
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CID 115189921
[4-(4-bromophenyl)phenyl] N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]carbamate
CID 90758353
N-[2-(4-bromophenyl)ethyl]-3-hydroxypropanamide
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ethyl N-[2-(4-methylphenyl)ethyl]carbamate
CID 22253656
N-[2-(4-bromophenyl)ethyl]-3-oxobutanamide
CID 115176509
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 2569917
methyl 2-[2-(4-bromophenyl)ethylcarbamoyl]butanoate
CID 115187958
1-[2-(4-bromophenyl)ethyl]-3-ethenylurea
CID 108909361
1-[2-(4-bromophenyl)ethyl]-3-(2-methoxyethoxymethyl)urea
CID 108894589
1-(4-aminophenyl)-3-[2-(4-bromophenyl)ethyl]urea
CID 108897083

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloroethyl N-[2-(4-bromophenyl)ethyl]carbamate?
The IUPAC name of 2,2,2-trichloroethyl N-[2-(4-bromophenyl)ethyl]carbamate (CID 11188025) is 2,2,2-trichloroethyl N-[2-(4-bromophenyl)ethyl]carbamate.
What is the SMILES notation for 2,2,2-trichloroethyl N-[2-(4-bromophenyl)ethyl]carbamate?
The canonical SMILES for 2,2,2-trichloroethyl N-[2-(4-bromophenyl)ethyl]carbamate is O=C(NCCc1ccc(Br)cc1)OCC(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloroethyl N-[2-(4-bromophenyl)ethyl]carbamate?
The InChIKey is UOCSIGPXDKZCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrCl3NO2/c12-9-3-1-8(2-4-9)5-6-16-10(17)18-7-11(13,14)15/h1-4H,5-7H2,(H,16,17).
What are the key properties of 2,2,2-trichloroethyl N-[2-(4-bromophenyl)ethyl]carbamate?
2,2,2-trichloroethyl N-[2-(4-bromophenyl)ethyl]carbamate has a molecular weight of 375.48 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloroethyl N-[2-(4-bromophenyl)ethyl]carbamate is sourced from PubChem (CID 11188025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).