4-bromo-3-hydroxy-N-(5-hydroxy-4-methylpentyl)benzamide

C13H18BrNO3 — CID 103874700

IUPAC4-bromo-3-hydroxy-N-(5-hydroxy-4-methylpentyl)benzamide
SMILESCC(CO)CCCNC(=O)c1ccc(Br)c(O)c1
InChIInChI=1S/C13H18BrNO3/c1-9(8-16)3-2-6-15-13(18)10-4-5-11(14)12(17)7-10/h4-5,7,9,16-17H,2-3,6,8H2,1H3,(H,15,18)
InChIKeyHPEFPEWFDBWXLI-UHFFFAOYSA-N
MW316.19 g/mol
LogP2.29
Rot. Bonds6

About 4-bromo-3-hydroxy-N-(5-hydroxy-4-methylpentyl)benzamide

4-bromo-3-hydroxy-N-(5-hydroxy-4-methylpentyl)benzamide (PubChem CID 103874700) has the molecular formula C13H18BrNO3 and a molecular weight of 316.19 g/mol. Its IUPAC name is 4-bromo-3-hydroxy-N-(5-hydroxy-4-methylpentyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-hydroxy-N-(5-hydroxy-4-methylpentyl)benzamide
PubChem CID103874700
Molecular FormulaC13H18BrNO3
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Name4-bromo-3-hydroxy-N-(5-hydroxy-4-methylpentyl)benzamide
SMILESCC(CO)CCCNC(=O)c1ccc(Br)c(O)c1
InChIInChI=1S/C13H18BrNO3/c1-9(8-16)3-2-6-15-13(18)10-4-5-11(14)12(17)7-10/h4-5,7,9,16-17H,2-3,6,8H2,1H3,(H,15,18)
InChIKeyHPEFPEWFDBWXLI-UHFFFAOYSA-N
XLogP2.29
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862163
4-bromo-3-hydroxy-N-(4-hydroxybutyl)benzamide
CID 107168307
3,4-difluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861935
4-(hydroxymethyl)-N-(5-hydroxy-4-methylpentyl)benzamide
CID 106155019
4-fluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862038
4-bromo-3-hydroxy-N-(3-methylsulfonylpropyl)benzamide
CID 103830547
N-(5-hydroxy-4-methylpentyl)-2H-benzotriazole-5-carboxamide
CID 103861558
N-(5-hydroxy-4-methylpentyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 103861739
4-bromo-N-(3-ethoxypropyl)-3-hydroxybenzamide
CID 103830425
2,6-dihydroxy-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103890698
4-bromo-3-hydroxy-N-(4,4,4-trifluorobutyl)benzamide
CID 103873578
N-(5-hydroxy-4-methylpentyl)-4-methylsulfanylbenzamide
CID 103861588

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxy-N-(5-hydroxy-4-methylpentyl)benzamide?
The IUPAC name of 4-bromo-3-hydroxy-N-(5-hydroxy-4-methylpentyl)benzamide (CID 103874700) is 4-bromo-3-hydroxy-N-(5-hydroxy-4-methylpentyl)benzamide.
What is the SMILES notation for 4-bromo-3-hydroxy-N-(5-hydroxy-4-methylpentyl)benzamide?
The canonical SMILES for 4-bromo-3-hydroxy-N-(5-hydroxy-4-methylpentyl)benzamide is CC(CO)CCCNC(=O)c1ccc(Br)c(O)c1.
What is the InChIKey of 4-bromo-3-hydroxy-N-(5-hydroxy-4-methylpentyl)benzamide?
The InChIKey is HPEFPEWFDBWXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3/c1-9(8-16)3-2-6-15-13(18)10-4-5-11(14)12(17)7-10/h4-5,7,9,16-17H,2-3,6,8H2,1H3,(H,15,18).
What are the key properties of 4-bromo-3-hydroxy-N-(5-hydroxy-4-methylpentyl)benzamide?
4-bromo-3-hydroxy-N-(5-hydroxy-4-methylpentyl)benzamide has a molecular weight of 316.19 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-hydroxy-N-(5-hydroxy-4-methylpentyl)benzamide is sourced from PubChem (CID 103874700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).