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

C9H10BrNO2 — CID 47435796

IUPAC4-bromo-2-hydroxy-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Br)cc1O
InChIInChI=1S/C9H10BrNO2/c1-11(2)9(13)7-4-3-6(10)5-8(7)12/h3-5,12H,1-2H3
InChIKeyXTDKZCLZWZIPGN-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.86
Rot. Bonds1

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

4-bromo-2-hydroxy-N,N-dimethylbenzamide (PubChem CID 47435796) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is 4-bromo-2-hydroxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-bromo-2-hydroxy-N,N-dimethylbenzamide
PubChem CID47435796
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Name4-bromo-2-hydroxy-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Br)cc1O
InChIInChI=1S/C9H10BrNO2/c1-11(2)9(13)7-4-3-6(10)5-8(7)12/h3-5,12H,1-2H3
InChIKeyXTDKZCLZWZIPGN-UHFFFAOYSA-N
XLogP1.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-hydroxy-N,N-dimethylbenzamide?
The IUPAC name of 4-bromo-2-hydroxy-N,N-dimethylbenzamide (CID 47435796) is 4-bromo-2-hydroxy-N,N-dimethylbenzamide.
What is the SMILES notation for 4-bromo-2-hydroxy-N,N-dimethylbenzamide?
The canonical SMILES for 4-bromo-2-hydroxy-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-2-hydroxy-N,N-dimethylbenzamide?
The InChIKey is XTDKZCLZWZIPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c1-11(2)9(13)7-4-3-6(10)5-8(7)12/h3-5,12H,1-2H3.
What are the key properties of 4-bromo-2-hydroxy-N,N-dimethylbenzamide?
4-bromo-2-hydroxy-N,N-dimethylbenzamide has a molecular weight of 244.09 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-hydroxy-N,N-dimethylbenzamide is sourced from PubChem (CID 47435796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).