2-bromo-3,4,5,6-tetradeuteriobenzamide

C7H6BrNO — CID 11195051

IUPAC2-bromo-3,4,5,6-tetradeuteriobenzamide
SMILES[2H]c1c([2H])c([2H])c(C(N)=O)c(Br)c1[2H]
InChIInChI=1S/C7H6BrNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)/i1D,2D,3D,4D
InChIKeyNHNAEZDWNCRWRW-RHQRLBAQSA-N
MW204.06 g/mol
LogP1.55
Rot. Bonds1

About 2-bromo-3,4,5,6-tetradeuteriobenzamide

2-bromo-3,4,5,6-tetradeuteriobenzamide (PubChem CID 11195051) has the molecular formula C7H6BrNO and a molecular weight of 204.06 g/mol. Its IUPAC name is 2-bromo-3,4,5,6-tetradeuteriobenzamide.

Molecular Properties

Compound Name2-bromo-3,4,5,6-tetradeuteriobenzamide
PubChem CID11195051
Molecular FormulaC7H6BrNO
Molecular Weight204.06 g/mol
Exact Mass202.99
IUPAC Name2-bromo-3,4,5,6-tetradeuteriobenzamide
SMILES[2H]c1c([2H])c([2H])c(C(N)=O)c(Br)c1[2H]
InChIInChI=1S/C7H6BrNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)/i1D,2D,3D,4D
InChIKeyNHNAEZDWNCRWRW-RHQRLBAQSA-N
XLogP1.55
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.06
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,4,5,6-tetradeuteriobenzamide?
The IUPAC name of 2-bromo-3,4,5,6-tetradeuteriobenzamide (CID 11195051) is 2-bromo-3,4,5,6-tetradeuteriobenzamide.
What is the SMILES notation for 2-bromo-3,4,5,6-tetradeuteriobenzamide?
The canonical SMILES for 2-bromo-3,4,5,6-tetradeuteriobenzamide is [2H]c1c([2H])c([2H])c(C(N)=O)c(Br)c1[2H].
What is the InChIKey of 2-bromo-3,4,5,6-tetradeuteriobenzamide?
The InChIKey is NHNAEZDWNCRWRW-RHQRLBAQSA-N. The full InChI is InChI=1S/C7H6BrNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)/i1D,2D,3D,4D.
What are the key properties of 2-bromo-3,4,5,6-tetradeuteriobenzamide?
2-bromo-3,4,5,6-tetradeuteriobenzamide has a molecular weight of 204.06 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,4,5,6-tetradeuteriobenzamide is sourced from PubChem (CID 11195051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).