butyl N-(2,4-dibromophenyl)carbamate

C11H13Br2NO2 — CID 56698243

IUPACbutyl N-(2,4-dibromophenyl)carbamate
SMILESCCCCOC(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C11H13Br2NO2/c1-2-3-6-16-11(15)14-10-5-4-8(12)7-9(10)13/h4-5,7H,2-3,6H2,1H3,(H,14,15)
InChIKeyYTKQBXGVPVHEKN-UHFFFAOYSA-N
MW351.04 g/mol
LogP4.56
Rot. Bonds4

About butyl N-(2,4-dibromophenyl)carbamate

butyl N-(2,4-dibromophenyl)carbamate (PubChem CID 56698243) has the molecular formula C11H13Br2NO2 and a molecular weight of 351.04 g/mol. Its IUPAC name is butyl N-(2,4-dibromophenyl)carbamate.

Molecular Properties

Compound Namebutyl N-(2,4-dibromophenyl)carbamate
PubChem CID56698243
Molecular FormulaC11H13Br2NO2
Molecular Weight351.04 g/mol
Exact Mass348.93
IUPAC Namebutyl N-(2,4-dibromophenyl)carbamate
SMILESCCCCOC(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C11H13Br2NO2/c1-2-3-6-16-11(15)14-10-5-4-8(12)7-9(10)13/h4-5,7H,2-3,6H2,1H3,(H,14,15)
InChIKeyYTKQBXGVPVHEKN-UHFFFAOYSA-N
XLogP4.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.04
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dibromophenyl)hexanamide
CID 4251482
2-(2-aminoethoxy)-N-(2,4-dibromophenyl)acetamide
CID 79473463
butyl N-[2-(2-amino-4-bromoanilino)ethyl]carbamate
CID 142707705
1-(2,4-dibromophenyl)-3-ethylurea
CID 102364568
2-amino-N-(2,4-dibromophenyl)-3-methylpentanamide
CID 43702668
butyl N-(2-sulfamoylphenyl)carbamate
CID 140550140
octyl N-(2,4-diaminophenyl)carbamate
CID 22315946
2-hydroxyethyl N-(5-bromo-2-methylphenyl)carbamate
CID 79348702
2-[butyl(2-hydroxyethyl)amino]-N-(2,4-dibromophenyl)acetamide
CID 60689148
1-amino-2-butyl-3-(2,4-dibromophenyl)guanidine
CID 116514777
butyl N-[4-[4-(butoxycarbonylamino)phenyl]phenyl]carbamate
CID 70896336
[(E)-[(2E)-2-[(2,4-dibromophenyl)carbamoyloxyimino]ethylidene]amino] N-(2,4-dibromophenyl)carbamate
CID 51064340

Frequently Asked Questions

What is the IUPAC name of butyl N-(2,4-dibromophenyl)carbamate?
The IUPAC name of butyl N-(2,4-dibromophenyl)carbamate (CID 56698243) is butyl N-(2,4-dibromophenyl)carbamate.
What is the SMILES notation for butyl N-(2,4-dibromophenyl)carbamate?
The canonical SMILES for butyl N-(2,4-dibromophenyl)carbamate is CCCCOC(=O)Nc1ccc(Br)cc1Br.
What is the InChIKey of butyl N-(2,4-dibromophenyl)carbamate?
The InChIKey is YTKQBXGVPVHEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO2/c1-2-3-6-16-11(15)14-10-5-4-8(12)7-9(10)13/h4-5,7H,2-3,6H2,1H3,(H,14,15).
What are the key properties of butyl N-(2,4-dibromophenyl)carbamate?
butyl N-(2,4-dibromophenyl)carbamate has a molecular weight of 351.04 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(2,4-dibromophenyl)carbamate is sourced from PubChem (CID 56698243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).