2,4-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]benzamide

C11H11Br2F2NO2 — CID 103082574

IUPAC2,4-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]benzamide
SMILESO=C(NCCOCC(F)F)c1ccc(Br)cc1Br
InChIInChI=1S/C11H11Br2F2NO2/c12-7-1-2-8(9(13)5-7)11(17)16-3-4-18-6-10(14)15/h1-2,5,10H,3-4,6H2,(H,16,17)
InChIKeyQWZZAGOTDJUSLU-UHFFFAOYSA-N
MW387.02 g/mol
LogP3.22
Rot. Bonds6

About 2,4-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]benzamide

2,4-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]benzamide (PubChem CID 103082574) has the molecular formula C11H11Br2F2NO2 and a molecular weight of 387.02 g/mol. Its IUPAC name is 2,4-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]benzamide
PubChem CID103082574
Molecular FormulaC11H11Br2F2NO2
Molecular Weight387.02 g/mol
Exact Mass384.91
IUPAC Name2,4-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]benzamide
SMILESO=C(NCCOCC(F)F)c1ccc(Br)cc1Br
InChIInChI=1S/C11H11Br2F2NO2/c12-7-1-2-8(9(13)5-7)11(17)16-3-4-18-6-10(14)15/h1-2,5,10H,3-4,6H2,(H,16,17)
InChIKeyQWZZAGOTDJUSLU-UHFFFAOYSA-N
XLogP3.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.02
LogP ≤ 53.22
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

5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide
CID 103097013
2-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-5-methylbenzamide
CID 103082770
2,4-dibromo-N-(2-methoxyethyl)benzamide
CID 103882043
4-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide
CID 103097023
2,4-dibromo-N-(2-bromoethyl)benzamide
CID 107941215
2,4-dibromo-N-(3-ethoxypropyl)benzamide
CID 103882188
4,5-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]thiophene-2-carboxamide
CID 103082371
2,4-dibromo-N-(3-propoxypropyl)benzamide
CID 114020100
5-bromo-2-chloro-N-[2-(2-methylpropoxy)ethyl]benzamide
CID 60533216
2,4-dibromo-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 103882713
2,4-dibromo-N-(3-methoxy-2-methylpropyl)benzamide
CID 103882658
2-amino-4-bromo-N-[3-(2-methylpropoxy)propyl]benzamide
CID 79713860

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]benzamide?
The IUPAC name of 2,4-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]benzamide (CID 103082574) is 2,4-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]benzamide.
What is the SMILES notation for 2,4-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]benzamide?
The canonical SMILES for 2,4-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]benzamide is O=C(NCCOCC(F)F)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]benzamide?
The InChIKey is QWZZAGOTDJUSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2F2NO2/c12-7-1-2-8(9(13)5-7)11(17)16-3-4-18-6-10(14)15/h1-2,5,10H,3-4,6H2,(H,16,17).
What are the key properties of 2,4-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]benzamide?
2,4-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]benzamide has a molecular weight of 387.02 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]benzamide is sourced from PubChem (CID 103082574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).