4-bromo-2-fluoro-5-hydroxy-N,N-dimethylbenzamide

C9H9BrFNO2 — CID 154676898

IUPAC4-bromo-2-fluoro-5-hydroxy-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(O)c(Br)cc1F
InChIInChI=1S/C9H9BrFNO2/c1-12(2)9(14)5-3-8(13)6(10)4-7(5)11/h3-4,13H,1-2H3
InChIKeyGKBCXIXBADIPCX-UHFFFAOYSA-N
MW262.08 g/mol
LogP2.00
Rot. Bonds1

About 4-bromo-2-fluoro-5-hydroxy-N,N-dimethylbenzamide

4-bromo-2-fluoro-5-hydroxy-N,N-dimethylbenzamide (PubChem CID 154676898) has the molecular formula C9H9BrFNO2 and a molecular weight of 262.08 g/mol. Its IUPAC name is 4-bromo-2-fluoro-5-hydroxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-5-hydroxy-N,N-dimethylbenzamide
PubChem CID154676898
Molecular FormulaC9H9BrFNO2
Molecular Weight262.08 g/mol
Exact Mass260.98
IUPAC Name4-bromo-2-fluoro-5-hydroxy-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(O)c(Br)cc1F
InChIInChI=1S/C9H9BrFNO2/c1-12(2)9(14)5-3-8(13)6(10)4-7(5)11/h3-4,13H,1-2H3
InChIKeyGKBCXIXBADIPCX-UHFFFAOYSA-N
XLogP2.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.08
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-5-hydroxy-N,N-dimethylbenzamide?
The IUPAC name of 4-bromo-2-fluoro-5-hydroxy-N,N-dimethylbenzamide (CID 154676898) is 4-bromo-2-fluoro-5-hydroxy-N,N-dimethylbenzamide.
What is the SMILES notation for 4-bromo-2-fluoro-5-hydroxy-N,N-dimethylbenzamide?
The canonical SMILES for 4-bromo-2-fluoro-5-hydroxy-N,N-dimethylbenzamide is CN(C)C(=O)c1cc(O)c(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-5-hydroxy-N,N-dimethylbenzamide?
The InChIKey is GKBCXIXBADIPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO2/c1-12(2)9(14)5-3-8(13)6(10)4-7(5)11/h3-4,13H,1-2H3.
What are the key properties of 4-bromo-2-fluoro-5-hydroxy-N,N-dimethylbenzamide?
4-bromo-2-fluoro-5-hydroxy-N,N-dimethylbenzamide has a molecular weight of 262.08 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-5-hydroxy-N,N-dimethylbenzamide is sourced from PubChem (CID 154676898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).