2-chloro-N-hex-5-ynyl-5-hydroxybenzamide

C13H14ClNO2 — CID 106209889

IUPAC2-chloro-N-hex-5-ynyl-5-hydroxybenzamide
SMILESC#CCCCCNC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C13H14ClNO2/c1-2-3-4-5-8-15-13(17)11-9-10(16)6-7-12(11)14/h1,6-7,9,16H,3-5,8H2,(H,15,17)
InChIKeyXSZUBDBRKKOVGO-UHFFFAOYSA-N
MW251.71 g/mol
LogP2.58
Rot. Bonds5

About 2-chloro-N-hex-5-ynyl-5-hydroxybenzamide

2-chloro-N-hex-5-ynyl-5-hydroxybenzamide (PubChem CID 106209889) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 2-chloro-N-hex-5-ynyl-5-hydroxybenzamide.

Molecular Properties

Compound Name2-chloro-N-hex-5-ynyl-5-hydroxybenzamide
PubChem CID106209889
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name2-chloro-N-hex-5-ynyl-5-hydroxybenzamide
SMILESC#CCCCCNC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C13H14ClNO2/c1-2-3-4-5-8-15-13(17)11-9-10(16)6-7-12(11)14/h1,6-7,9,16H,3-5,8H2,(H,15,17)
InChIKeyXSZUBDBRKKOVGO-UHFFFAOYSA-N
XLogP2.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4-cyanobutyl)-5-hydroxybenzamide
CID 106501017
N-(5-bromopentyl)-2-chloro-5-hydroxybenzamide
CID 107321908
4-amino-2-chloro-N-hex-5-ynylbenzamide
CID 106208110
2,4-dichloro-N-pent-4-ynylbenzamide
CID 103709106
3,6-dichloro-N-hex-5-ynylpyridine-2-carboxamide
CID 103758152
2-chloro-5-hydroxy-N-(3-sulfamoylpropyl)benzamide
CID 106501692
2-chloro-3-fluoro-N-hex-5-ynylbenzamide
CID 103757958
N-(4-aminopentyl)-2-chloro-5-hydroxybenzamide
CID 114146404
2-chloro-N-pent-4-ynylfuran-3-carboxamide
CID 106812151
N-(3-butoxypropyl)-2-chloro-5-hydroxybenzamide
CID 106502163
2-chloro-5-hydroxy-N-(3-phenoxypropyl)benzamide
CID 106501748
2,3-dichloro-N-hex-5-ynyl-5-nitrobenzamide
CID 106211244

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-hex-5-ynyl-5-hydroxybenzamide?
The IUPAC name of 2-chloro-N-hex-5-ynyl-5-hydroxybenzamide (CID 106209889) is 2-chloro-N-hex-5-ynyl-5-hydroxybenzamide.
What is the SMILES notation for 2-chloro-N-hex-5-ynyl-5-hydroxybenzamide?
The canonical SMILES for 2-chloro-N-hex-5-ynyl-5-hydroxybenzamide is C#CCCCCNC(=O)c1cc(O)ccc1Cl.
What is the InChIKey of 2-chloro-N-hex-5-ynyl-5-hydroxybenzamide?
The InChIKey is XSZUBDBRKKOVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-2-3-4-5-8-15-13(17)11-9-10(16)6-7-12(11)14/h1,6-7,9,16H,3-5,8H2,(H,15,17).
What are the key properties of 2-chloro-N-hex-5-ynyl-5-hydroxybenzamide?
2-chloro-N-hex-5-ynyl-5-hydroxybenzamide has a molecular weight of 251.71 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-hex-5-ynyl-5-hydroxybenzamide is sourced from PubChem (CID 106209889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).