5-bromo-2-hydroxy-N-propan-2-ylbenzamide

C10H12BrNO2 — CID 3433879

IUPAC5-bromo-2-hydroxy-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C10H12BrNO2/c1-6(2)12-10(14)8-5-7(11)3-4-9(8)13/h3-6,13H,1-2H3,(H,12,14)
InChIKeyDZLFXHWPSHPLDG-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.29
Rot. Bonds2

About 5-bromo-2-hydroxy-N-propan-2-ylbenzamide

5-bromo-2-hydroxy-N-propan-2-ylbenzamide (PubChem CID 3433879) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-propan-2-ylbenzamide
PubChem CID3433879
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name5-bromo-2-hydroxy-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C10H12BrNO2/c1-6(2)12-10(14)8-5-7(11)3-4-9(8)13/h3-6,13H,1-2H3,(H,12,14)
InChIKeyDZLFXHWPSHPLDG-UHFFFAOYSA-N
XLogP2.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-propan-2-ylbenzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-propan-2-ylbenzamide (CID 3433879) is 5-bromo-2-hydroxy-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-propan-2-ylbenzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-propan-2-ylbenzamide?
The InChIKey is DZLFXHWPSHPLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-6(2)12-10(14)8-5-7(11)3-4-9(8)13/h3-6,13H,1-2H3,(H,12,14).
What are the key properties of 5-bromo-2-hydroxy-N-propan-2-ylbenzamide?
5-bromo-2-hydroxy-N-propan-2-ylbenzamide has a molecular weight of 258.11 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 3433879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).