N-(5-bromopentyl)-2-chloro-5-hydroxybenzamide

C12H15BrClNO2 — CID 107321908

IUPACN-(5-bromopentyl)-2-chloro-5-hydroxybenzamide
SMILESO=C(NCCCCCBr)c1cc(O)ccc1Cl
InChIInChI=1S/C12H15BrClNO2/c13-6-2-1-3-7-15-12(17)10-8-9(16)4-5-11(10)14/h4-5,8,16H,1-3,6-7H2,(H,15,17)
InChIKeyAUZRDOWSPMFISM-UHFFFAOYSA-N
MW320.61 g/mol
LogP3.34
Rot. Bonds6

About N-(5-bromopentyl)-2-chloro-5-hydroxybenzamide

N-(5-bromopentyl)-2-chloro-5-hydroxybenzamide (PubChem CID 107321908) has the molecular formula C12H15BrClNO2 and a molecular weight of 320.61 g/mol. Its IUPAC name is N-(5-bromopentyl)-2-chloro-5-hydroxybenzamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-2-chloro-5-hydroxybenzamide
PubChem CID107321908
Molecular FormulaC12H15BrClNO2
Molecular Weight320.61 g/mol
Exact Mass319.00
IUPAC NameN-(5-bromopentyl)-2-chloro-5-hydroxybenzamide
SMILESO=C(NCCCCCBr)c1cc(O)ccc1Cl
InChIInChI=1S/C12H15BrClNO2/c13-6-2-1-3-7-15-12(17)10-8-9(16)4-5-11(10)14/h4-5,8,16H,1-3,6-7H2,(H,15,17)
InChIKeyAUZRDOWSPMFISM-UHFFFAOYSA-N
XLogP3.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.61
LogP ≤ 53.34
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'}

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Related Compounds

N-(6-bromohexyl)-2-fluoro-4-hydroxybenzamide
CID 107847909
2-chloro-N-hex-5-ynyl-5-hydroxybenzamide
CID 106209889
2-chloro-N-(4-cyanobutyl)-5-hydroxybenzamide
CID 106501017
N-(6-bromohexyl)-2-chloro-4-methylbenzamide
CID 107847912
2-chloro-5-hydroxy-N-(3-sulfamoylpropyl)benzamide
CID 106501692
N-(5-bromopentyl)-2,3-dichlorobenzamide
CID 107321695
2-bromo-N-(6-bromohexyl)-5-chlorobenzamide
CID 114026635
N-(6-bromohexyl)-5-chloro-2-methylbenzamide
CID 107847963
N-(4-aminopentyl)-2-chloro-5-hydroxybenzamide
CID 114146404
N-(3-butoxypropyl)-2-chloro-5-hydroxybenzamide
CID 106502163
2-chloro-5-hydroxy-N-(3-phenoxypropyl)benzamide
CID 106501748
2-chloro-5-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 106502576

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-2-chloro-5-hydroxybenzamide?
The IUPAC name of N-(5-bromopentyl)-2-chloro-5-hydroxybenzamide (CID 107321908) is N-(5-bromopentyl)-2-chloro-5-hydroxybenzamide.
What is the SMILES notation for N-(5-bromopentyl)-2-chloro-5-hydroxybenzamide?
The canonical SMILES for N-(5-bromopentyl)-2-chloro-5-hydroxybenzamide is O=C(NCCCCCBr)c1cc(O)ccc1Cl.
What is the InChIKey of N-(5-bromopentyl)-2-chloro-5-hydroxybenzamide?
The InChIKey is AUZRDOWSPMFISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO2/c13-6-2-1-3-7-15-12(17)10-8-9(16)4-5-11(10)14/h4-5,8,16H,1-3,6-7H2,(H,15,17).
What are the key properties of N-(5-bromopentyl)-2-chloro-5-hydroxybenzamide?
N-(5-bromopentyl)-2-chloro-5-hydroxybenzamide has a molecular weight of 320.61 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-2-chloro-5-hydroxybenzamide is sourced from PubChem (CID 107321908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).