3-bromo-N-methylbenzamide

C8H8BrNO — CID 4294170

IUPAC3-bromo-N-methylbenzamide
SMILESCNC(=O)c1cccc(Br)c1
InChIInChI=1S/C8H8BrNO/c1-10-8(11)6-3-2-4-7(9)5-6/h2-5H,1H3,(H,10,11)
InChIKeyYBNPCJSZMYHDDR-UHFFFAOYSA-N
MW214.06 g/mol
LogP1.81
Rot. Bonds1

About 3-bromo-N-methylbenzamide

3-bromo-N-methylbenzamide (PubChem CID 4294170) has the molecular formula C8H8BrNO and a molecular weight of 214.06 g/mol. Its IUPAC name is 3-bromo-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-methylbenzamide
PubChem CID4294170
Molecular FormulaC8H8BrNO
Molecular Weight214.06 g/mol
Exact Mass212.98
IUPAC Name3-bromo-N-methylbenzamide
SMILESCNC(=O)c1cccc(Br)c1
InChIInChI=1S/C8H8BrNO/c1-10-8(11)6-3-2-4-7(9)5-6/h2-5H,1H3,(H,10,11)
InChIKeyYBNPCJSZMYHDDR-UHFFFAOYSA-N
XLogP1.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methylbenzamide?
The IUPAC name of 3-bromo-N-methylbenzamide (CID 4294170) is 3-bromo-N-methylbenzamide.
What is the SMILES notation for 3-bromo-N-methylbenzamide?
The canonical SMILES for 3-bromo-N-methylbenzamide is CNC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-methylbenzamide?
The InChIKey is YBNPCJSZMYHDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO/c1-10-8(11)6-3-2-4-7(9)5-6/h2-5H,1H3,(H,10,11).
What are the key properties of 3-bromo-N-methylbenzamide?
3-bromo-N-methylbenzamide has a molecular weight of 214.06 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methylbenzamide is sourced from PubChem (CID 4294170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).