2-bromo-4-fluoro-N,N-dimethylbenzamide

C9H9BrFNO — CID 24689405

IUPAC2-bromo-4-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(F)cc1Br
InChIInChI=1S/C9H9BrFNO/c1-12(2)9(13)7-4-3-6(11)5-8(7)10/h3-5H,1-2H3
InChIKeyCGUIJOTZYHWBSQ-UHFFFAOYSA-N
MW246.08 g/mol
LogP2.29
Rot. Bonds1

About 2-bromo-4-fluoro-N,N-dimethylbenzamide

2-bromo-4-fluoro-N,N-dimethylbenzamide (PubChem CID 24689405) has the molecular formula C9H9BrFNO and a molecular weight of 246.08 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N,N-dimethylbenzamide
PubChem CID24689405
Molecular FormulaC9H9BrFNO
Molecular Weight246.08 g/mol
Exact Mass244.99
IUPAC Name2-bromo-4-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(F)cc1Br
InChIInChI=1S/C9H9BrFNO/c1-12(2)9(13)7-4-3-6(11)5-8(7)10/h3-5H,1-2H3
InChIKeyCGUIJOTZYHWBSQ-UHFFFAOYSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.08
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N,N-dimethylbenzamide?
The IUPAC name of 2-bromo-4-fluoro-N,N-dimethylbenzamide (CID 24689405) is 2-bromo-4-fluoro-N,N-dimethylbenzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N,N-dimethylbenzamide?
The canonical SMILES for 2-bromo-4-fluoro-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N,N-dimethylbenzamide?
The InChIKey is CGUIJOTZYHWBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO/c1-12(2)9(13)7-4-3-6(11)5-8(7)10/h3-5H,1-2H3.
What are the key properties of 2-bromo-4-fluoro-N,N-dimethylbenzamide?
2-bromo-4-fluoro-N,N-dimethylbenzamide has a molecular weight of 246.08 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N,N-dimethylbenzamide is sourced from PubChem (CID 24689405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).