2-bromo-N,N-dimethylbenzamide

C9H10BrNO — CID 3264342

IUPAC2-bromo-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1Br
InChIInChI=1S/C9H10BrNO/c1-11(2)9(12)7-5-3-4-6-8(7)10/h3-6H,1-2H3
InChIKeyJYWWETIYYPKRBZ-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.15
Rot. Bonds1

About 2-bromo-N,N-dimethylbenzamide

2-bromo-N,N-dimethylbenzamide (PubChem CID 3264342) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 2-bromo-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-bromo-N,N-dimethylbenzamide
PubChem CID3264342
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name2-bromo-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1Br
InChIInChI=1S/C9H10BrNO/c1-11(2)9(12)7-5-3-4-6-8(7)10/h3-6H,1-2H3
InChIKeyJYWWETIYYPKRBZ-UHFFFAOYSA-N
XLogP2.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,N-dimethylbenzamide?
The IUPAC name of 2-bromo-N,N-dimethylbenzamide (CID 3264342) is 2-bromo-N,N-dimethylbenzamide.
What is the SMILES notation for 2-bromo-N,N-dimethylbenzamide?
The canonical SMILES for 2-bromo-N,N-dimethylbenzamide is CN(C)C(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N,N-dimethylbenzamide?
The InChIKey is JYWWETIYYPKRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c1-11(2)9(12)7-5-3-4-6-8(7)10/h3-6H,1-2H3.
What are the key properties of 2-bromo-N,N-dimethylbenzamide?
2-bromo-N,N-dimethylbenzamide has a molecular weight of 228.09 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N-dimethylbenzamide is sourced from PubChem (CID 3264342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).