5-bromo-N-(4-chlorobutyl)-2-hydroxybenzamide

C11H13BrClNO2 — CID 107730547

IUPAC5-bromo-N-(4-chlorobutyl)-2-hydroxybenzamide
SMILESO=C(NCCCCCl)c1cc(Br)ccc1O
InChIInChI=1S/C11H13BrClNO2/c12-8-3-4-10(15)9(7-8)11(16)14-6-2-1-5-13/h3-4,7,15H,1-2,5-6H2,(H,14,16)
InChIKeyYYFDANCOCOOHJV-UHFFFAOYSA-N
MW306.59 g/mol
LogP2.90
Rot. Bonds5

About 5-bromo-N-(4-chlorobutyl)-2-hydroxybenzamide

5-bromo-N-(4-chlorobutyl)-2-hydroxybenzamide (PubChem CID 107730547) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is 5-bromo-N-(4-chlorobutyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(4-chlorobutyl)-2-hydroxybenzamide
PubChem CID107730547
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC Name5-bromo-N-(4-chlorobutyl)-2-hydroxybenzamide
SMILESO=C(NCCCCCl)c1cc(Br)ccc1O
InChIInChI=1S/C11H13BrClNO2/c12-8-3-4-10(15)9(7-8)11(16)14-6-2-1-5-13/h3-4,7,15H,1-2,5-6H2,(H,14,16)
InChIKeyYYFDANCOCOOHJV-UHFFFAOYSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-bromo-N-(4-chlorobutyl)-2-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorobutyl)-2,5-dihydroxybenzamide
CID 107726261
5-bromo-N-(5-chloropentyl)-2-methylbenzamide
CID 107321142
N-(3-aminopropyl)-5-bromo-2-hydroxybenzamide
CID 104872204
3-[(5-bromo-2-hydroxybenzoyl)amino]propyl-dimethylazanium
CID 7188682
4-bromo-N-(5-chloropentyl)-2-fluorobenzamide
CID 107321212
5-bromo-N-(5-chloro-2,2-dimethylpentyl)-2-hydroxybenzamide
CID 114149605
4-bromo-N-(3-chloropropyl)-2-fluorobenzamide
CID 43133463
4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 107729441
5-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-2-hydroxybenzamide
CID 107730444
2-bromo-N-(6-chlorohexyl)-5-methylbenzamide
CID 107846583
5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide
CID 103097013
5-bromo-2-hydroxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 103719384

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-chlorobutyl)-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-(4-chlorobutyl)-2-hydroxybenzamide (CID 107730547) is 5-bromo-N-(4-chlorobutyl)-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-(4-chlorobutyl)-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-(4-chlorobutyl)-2-hydroxybenzamide is O=C(NCCCCCl)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-(4-chlorobutyl)-2-hydroxybenzamide?
The InChIKey is YYFDANCOCOOHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c12-8-3-4-10(15)9(7-8)11(16)14-6-2-1-5-13/h3-4,7,15H,1-2,5-6H2,(H,14,16).
What are the key properties of 5-bromo-N-(4-chlorobutyl)-2-hydroxybenzamide?
5-bromo-N-(4-chlorobutyl)-2-hydroxybenzamide has a molecular weight of 306.59 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-chlorobutyl)-2-hydroxybenzamide is sourced from PubChem (CID 107730547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).