5-bromo-N,2-dimethylbenzamide

C9H10BrNO — CID 23156913

IUPAC5-bromo-N,2-dimethylbenzamide
SMILESCNC(=O)c1cc(Br)ccc1C
InChIInChI=1S/C9H10BrNO/c1-6-3-4-7(10)5-8(6)9(12)11-2/h3-5H,1-2H3,(H,11,12)
InChIKeyHQMSFKCYMRDNAE-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.12
Rot. Bonds1

About 5-bromo-N,2-dimethylbenzamide

5-bromo-N,2-dimethylbenzamide (PubChem CID 23156913) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 5-bromo-N,2-dimethylbenzamide.

Molecular Properties

Compound Name5-bromo-N,2-dimethylbenzamide
PubChem CID23156913
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name5-bromo-N,2-dimethylbenzamide
SMILESCNC(=O)c1cc(Br)ccc1C
InChIInChI=1S/C9H10BrNO/c1-6-3-4-7(10)5-8(6)9(12)11-2/h3-5H,1-2H3,(H,11,12)
InChIKeyHQMSFKCYMRDNAE-UHFFFAOYSA-N
XLogP2.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,2-dimethylbenzamide?
The IUPAC name of 5-bromo-N,2-dimethylbenzamide (CID 23156913) is 5-bromo-N,2-dimethylbenzamide.
What is the SMILES notation for 5-bromo-N,2-dimethylbenzamide?
The canonical SMILES for 5-bromo-N,2-dimethylbenzamide is CNC(=O)c1cc(Br)ccc1C.
What is the InChIKey of 5-bromo-N,2-dimethylbenzamide?
The InChIKey is HQMSFKCYMRDNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c1-6-3-4-7(10)5-8(6)9(12)11-2/h3-5H,1-2H3,(H,11,12).
What are the key properties of 5-bromo-N,2-dimethylbenzamide?
5-bromo-N,2-dimethylbenzamide has a molecular weight of 228.09 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,2-dimethylbenzamide is sourced from PubChem (CID 23156913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).