4-bromo-2-hydroxy-N-octan-2-ylbenzamide

C15H22BrNO2 — CID 55223939

IUPAC4-bromo-2-hydroxy-N-octan-2-ylbenzamide
SMILESCCCCCCC(C)NC(=O)c1ccc(Br)cc1O
InChIInChI=1S/C15H22BrNO2/c1-3-4-5-6-7-11(2)17-15(19)13-9-8-12(16)10-14(13)18/h8-11,18H,3-7H2,1-2H3,(H,17,19)
InChIKeyBVMKSLDQLLRQGL-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.24
Rot. Bonds7

About 4-bromo-2-hydroxy-N-octan-2-ylbenzamide

4-bromo-2-hydroxy-N-octan-2-ylbenzamide (PubChem CID 55223939) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 4-bromo-2-hydroxy-N-octan-2-ylbenzamide.

Molecular Properties

Compound Name4-bromo-2-hydroxy-N-octan-2-ylbenzamide
PubChem CID55223939
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name4-bromo-2-hydroxy-N-octan-2-ylbenzamide
SMILESCCCCCCC(C)NC(=O)c1ccc(Br)cc1O
InChIInChI=1S/C15H22BrNO2/c1-3-4-5-6-7-11(2)17-15(19)13-9-8-12(16)10-14(13)18/h8-11,18H,3-7H2,1-2H3,(H,17,19)
InChIKeyBVMKSLDQLLRQGL-UHFFFAOYSA-N
XLogP4.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 54.24
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

2,4-dibromo-N-heptan-2-ylbenzamide
CID 114019926
4-bromo-N-butan-2-yl-2-hydroxybenzamide
CID 47435868
5-bromo-2-fluoro-N-octan-2-ylbenzamide
CID 55222984
4-fluoro-N-hexan-2-yl-2-hydroxybenzamide
CID 107015212
4-bromo-N-heptan-2-ylbenzamide
CID 3735409
4-hydroxy-2-methyl-N-octan-2-ylbenzamide
CID 103865158
5-bromo-2-hydroxy-N-(6-methylheptan-2-yl)benzamide
CID 103600383
4-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-hydroxybenzamide
CID 103110775
4-bromo-2-hydroxy-N-(4-methylpentyl)benzamide
CID 63528181
N-heptan-2-yl-2,6-dihydroxybenzamide
CID 103748986
5-bromo-N-heptan-2-ylpyridine-2-carboxamide
CID 55153825
5-bromo-2-fluoro-N-pentan-2-ylbenzamide
CID 24700042

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-hydroxy-N-octan-2-ylbenzamide?
The IUPAC name of 4-bromo-2-hydroxy-N-octan-2-ylbenzamide (CID 55223939) is 4-bromo-2-hydroxy-N-octan-2-ylbenzamide.
What is the SMILES notation for 4-bromo-2-hydroxy-N-octan-2-ylbenzamide?
The canonical SMILES for 4-bromo-2-hydroxy-N-octan-2-ylbenzamide is CCCCCCC(C)NC(=O)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-2-hydroxy-N-octan-2-ylbenzamide?
The InChIKey is BVMKSLDQLLRQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-3-4-5-6-7-11(2)17-15(19)13-9-8-12(16)10-14(13)18/h8-11,18H,3-7H2,1-2H3,(H,17,19).
What are the key properties of 4-bromo-2-hydroxy-N-octan-2-ylbenzamide?
4-bromo-2-hydroxy-N-octan-2-ylbenzamide has a molecular weight of 328.25 g/mol, XLogP of 4.24, 7 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-octan-2-ylbenzamide is sourced from PubChem (CID 55223939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).