4-bromo-2-hydroxy-N,N-di(propan-2-yl)benzamide

C13H18BrNO2 — CID 132991594

IUPAC4-bromo-2-hydroxy-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc(Br)cc1O)C(C)C
InChIInChI=1S/C13H18BrNO2/c1-8(2)15(9(3)4)13(17)11-6-5-10(14)7-12(11)16/h5-9,16H,1-4H3
InChIKeyLOAPBAUFBIFFPP-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.41
Rot. Bonds3

About 4-bromo-2-hydroxy-N,N-di(propan-2-yl)benzamide

4-bromo-2-hydroxy-N,N-di(propan-2-yl)benzamide (PubChem CID 132991594) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 4-bromo-2-hydroxy-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-2-hydroxy-N,N-di(propan-2-yl)benzamide
PubChem CID132991594
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name4-bromo-2-hydroxy-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc(Br)cc1O)C(C)C
InChIInChI=1S/C13H18BrNO2/c1-8(2)15(9(3)4)13(17)11-6-5-10(14)7-12(11)16/h5-9,16H,1-4H3
InChIKeyLOAPBAUFBIFFPP-UHFFFAOYSA-N
XLogP3.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-hydroxy-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 4-bromo-2-hydroxy-N,N-di(propan-2-yl)benzamide (CID 132991594) is 4-bromo-2-hydroxy-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 4-bromo-2-hydroxy-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 4-bromo-2-hydroxy-N,N-di(propan-2-yl)benzamide is CC(C)N(C(=O)c1ccc(Br)cc1O)C(C)C.
What is the InChIKey of 4-bromo-2-hydroxy-N,N-di(propan-2-yl)benzamide?
The InChIKey is LOAPBAUFBIFFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-8(2)15(9(3)4)13(17)11-6-5-10(14)7-12(11)16/h5-9,16H,1-4H3.
What are the key properties of 4-bromo-2-hydroxy-N,N-di(propan-2-yl)benzamide?
4-bromo-2-hydroxy-N,N-di(propan-2-yl)benzamide has a molecular weight of 300.20 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-hydroxy-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 132991594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).