4-bromo-2-hydroxy-N-(4-methylpentyl)benzamide

C13H18BrNO2 — CID 63528181

IUPAC4-bromo-2-hydroxy-N-(4-methylpentyl)benzamide
SMILESCC(C)CCCNC(=O)c1ccc(Br)cc1O
InChIInChI=1S/C13H18BrNO2/c1-9(2)4-3-7-15-13(17)11-6-5-10(14)8-12(11)16/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyLTPFIDKOLKUNHS-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.32
Rot. Bonds5

About 4-bromo-2-hydroxy-N-(4-methylpentyl)benzamide

4-bromo-2-hydroxy-N-(4-methylpentyl)benzamide (PubChem CID 63528181) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 4-bromo-2-hydroxy-N-(4-methylpentyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-hydroxy-N-(4-methylpentyl)benzamide
PubChem CID63528181
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name4-bromo-2-hydroxy-N-(4-methylpentyl)benzamide
SMILESCC(C)CCCNC(=O)c1ccc(Br)cc1O
InChIInChI=1S/C13H18BrNO2/c1-9(2)4-3-7-15-13(17)11-6-5-10(14)8-12(11)16/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyLTPFIDKOLKUNHS-UHFFFAOYSA-N
XLogP3.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(5-chloro-4-methylpentyl)-2-hydroxybenzamide
CID 106156782
4-fluoro-2-hydroxy-N-(4-methylpentyl)benzamide
CID 103829717
2,5-dibromo-N-(7-methyloctyl)benzamide
CID 114371952
4-bromo-2-hydroxy-N-(2-propan-2-yloxyethyl)benzamide
CID 113429309
5-bromo-2-fluoro-N-(7-methyloctyl)benzamide
CID 63525308
4-ethyl-2-hydroxy-N-(7-methyloctyl)benzamide
CID 155970084
4-bromo-2-hydroxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906485
4-bromo-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 47435886
2,5-dibromo-N-(4-hydroxypentyl)benzamide
CID 107300307
2-amino-4-bromo-N-(3-methylbutyl)benzamide
CID 79714251
4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-2-hydroxybenzamide
CID 83120499
4-bromo-N-(4-chloropentyl)-2-methylbenzamide
CID 106129866

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-hydroxy-N-(4-methylpentyl)benzamide?
The IUPAC name of 4-bromo-2-hydroxy-N-(4-methylpentyl)benzamide (CID 63528181) is 4-bromo-2-hydroxy-N-(4-methylpentyl)benzamide.
What is the SMILES notation for 4-bromo-2-hydroxy-N-(4-methylpentyl)benzamide?
The canonical SMILES for 4-bromo-2-hydroxy-N-(4-methylpentyl)benzamide is CC(C)CCCNC(=O)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-2-hydroxy-N-(4-methylpentyl)benzamide?
The InChIKey is LTPFIDKOLKUNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-9(2)4-3-7-15-13(17)11-6-5-10(14)8-12(11)16/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,15,17).
What are the key properties of 4-bromo-2-hydroxy-N-(4-methylpentyl)benzamide?
4-bromo-2-hydroxy-N-(4-methylpentyl)benzamide has a molecular weight of 300.20 g/mol, XLogP of 3.32, 5 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-(4-methylpentyl)benzamide is sourced from PubChem (CID 63528181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).