5-bromo-N-(2-chlorobutyl)-2-hydroxybenzamide

C11H13BrClNO2 — CID 107730482

IUPAC5-bromo-N-(2-chlorobutyl)-2-hydroxybenzamide
SMILESCCC(Cl)CNC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C11H13BrClNO2/c1-2-8(13)6-14-11(16)9-5-7(12)3-4-10(9)15/h3-5,8,15H,2,6H2,1H3,(H,14,16)
InChIKeyUEOKWOQNMWLUMU-UHFFFAOYSA-N
MW306.59 g/mol
LogP2.90
Rot. Bonds4

About 5-bromo-N-(2-chlorobutyl)-2-hydroxybenzamide

5-bromo-N-(2-chlorobutyl)-2-hydroxybenzamide (PubChem CID 107730482) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is 5-bromo-N-(2-chlorobutyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(2-chlorobutyl)-2-hydroxybenzamide
PubChem CID107730482
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC Name5-bromo-N-(2-chlorobutyl)-2-hydroxybenzamide
SMILESCCC(Cl)CNC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C11H13BrClNO2/c1-2-8(13)6-14-11(16)9-5-7(12)3-4-10(9)15/h3-5,8,15H,2,6H2,1H3,(H,14,16)
InChIKeyUEOKWOQNMWLUMU-UHFFFAOYSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-N-(2-chlorobutyl)benzamide
CID 114375877
5-bromo-2-hydroxy-N-(2-methylbutyl)benzamide
CID 107729737
5-bromo-N-(2,2-dimethoxyethyl)-2-hydroxybenzamide
CID 103602044
5-bromo-2-hydroxy-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829917
5-bromo-2-hydroxy-N-(4-hydroxy-2-methylpentyl)benzamide
CID 111662219
5-bromo-2-hydroxy-N-pentan-3-ylbenzamide
CID 103600405
3,5-dibromo-N-(2-chlorobutyl)benzamide
CID 107975285
5-bromo-N-(2,2-dicyclopropylethyl)-2-hydroxybenzamide
CID 103711996
2,4-dibromo-N-(2-chloropentyl)benzamide
CID 107941412
5-bromo-2-chloro-N-(2-chloro-3-ethylpentyl)benzamide
CID 106287321
5-bromo-N-but-2-ynyl-2-hydroxybenzamide
CID 103871171
5-bromo-2-hydroxy-N-(3-methylpentan-3-yl)benzamide
CID 113235186

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chlorobutyl)-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-(2-chlorobutyl)-2-hydroxybenzamide (CID 107730482) is 5-bromo-N-(2-chlorobutyl)-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-(2-chlorobutyl)-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-(2-chlorobutyl)-2-hydroxybenzamide is CCC(Cl)CNC(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-(2-chlorobutyl)-2-hydroxybenzamide?
The InChIKey is UEOKWOQNMWLUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c1-2-8(13)6-14-11(16)9-5-7(12)3-4-10(9)15/h3-5,8,15H,2,6H2,1H3,(H,14,16).
What are the key properties of 5-bromo-N-(2-chlorobutyl)-2-hydroxybenzamide?
5-bromo-N-(2-chlorobutyl)-2-hydroxybenzamide has a molecular weight of 306.59 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chlorobutyl)-2-hydroxybenzamide is sourced from PubChem (CID 107730482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).