4-bromo-2-hydroxy-N-methylbenzamide

C8H8BrNO2 — CID 47435788

IUPAC4-bromo-2-hydroxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(Br)cc1O
InChIInChI=1S/C8H8BrNO2/c1-10-8(12)6-3-2-5(9)4-7(6)11/h2-4,11H,1H3,(H,10,12)
InChIKeyJYJYYPNWIDIDDM-UHFFFAOYSA-N
MW230.06 g/mol
LogP1.51
Rot. Bonds1

About 4-bromo-2-hydroxy-N-methylbenzamide

4-bromo-2-hydroxy-N-methylbenzamide (PubChem CID 47435788) has the molecular formula C8H8BrNO2 and a molecular weight of 230.06 g/mol. Its IUPAC name is 4-bromo-2-hydroxy-N-methylbenzamide.

Molecular Properties

Compound Name4-bromo-2-hydroxy-N-methylbenzamide
PubChem CID47435788
Molecular FormulaC8H8BrNO2
Molecular Weight230.06 g/mol
Exact Mass228.97
IUPAC Name4-bromo-2-hydroxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(Br)cc1O
InChIInChI=1S/C8H8BrNO2/c1-10-8(12)6-3-2-5(9)4-7(6)11/h2-4,11H,1H3,(H,10,12)
InChIKeyJYJYYPNWIDIDDM-UHFFFAOYSA-N
XLogP1.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-hydroxy-N-methylbenzamide?
The IUPAC name of 4-bromo-2-hydroxy-N-methylbenzamide (CID 47435788) is 4-bromo-2-hydroxy-N-methylbenzamide.
What is the SMILES notation for 4-bromo-2-hydroxy-N-methylbenzamide?
The canonical SMILES for 4-bromo-2-hydroxy-N-methylbenzamide is CNC(=O)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-2-hydroxy-N-methylbenzamide?
The InChIKey is JYJYYPNWIDIDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2/c1-10-8(12)6-3-2-5(9)4-7(6)11/h2-4,11H,1H3,(H,10,12).
What are the key properties of 4-bromo-2-hydroxy-N-methylbenzamide?
4-bromo-2-hydroxy-N-methylbenzamide has a molecular weight of 230.06 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-hydroxy-N-methylbenzamide is sourced from PubChem (CID 47435788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).