5-chloro-N-(5-hydroxypentyl)-2-iodobenzamide

C12H15ClINO2 — CID 107342948

IUPAC5-chloro-N-(5-hydroxypentyl)-2-iodobenzamide
SMILESO=C(NCCCCCO)c1cc(Cl)ccc1I
InChIInChI=1S/C12H15ClINO2/c13-9-4-5-11(14)10(8-9)12(17)15-6-2-1-3-7-16/h4-5,8,16H,1-3,6-7H2,(H,15,17)
InChIKeyIYOSFXHUPWLMAF-UHFFFAOYSA-N
MW367.61 g/mol
LogP2.84
Rot. Bonds6

About 5-chloro-N-(5-hydroxypentyl)-2-iodobenzamide

5-chloro-N-(5-hydroxypentyl)-2-iodobenzamide (PubChem CID 107342948) has the molecular formula C12H15ClINO2 and a molecular weight of 367.61 g/mol. Its IUPAC name is 5-chloro-N-(5-hydroxypentyl)-2-iodobenzamide.

Molecular Properties

Compound Name5-chloro-N-(5-hydroxypentyl)-2-iodobenzamide
PubChem CID107342948
Molecular FormulaC12H15ClINO2
Molecular Weight367.61 g/mol
Exact Mass366.98
IUPAC Name5-chloro-N-(5-hydroxypentyl)-2-iodobenzamide
SMILESO=C(NCCCCCO)c1cc(Cl)ccc1I
InChIInChI=1S/C12H15ClINO2/c13-9-4-5-11(14)10(8-9)12(17)15-6-2-1-3-7-16/h4-5,8,16H,1-3,6-7H2,(H,15,17)
InChIKeyIYOSFXHUPWLMAF-UHFFFAOYSA-N
XLogP2.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.61
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-5-oxopentyl)-5-chloro-2-iodobenzamide
CID 103896306
5-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-iodobenzamide
CID 103767292
2-amino-5-chloro-N-(6-hydroxyhexyl)benzamide
CID 114007983
2-bromo-4-chloro-N-(5-hydroxypentyl)benzamide
CID 107342949
N-(5-hydroxypentyl)-2-iodobenzamide
CID 107317870
5-chloro-N-[3-(2-chloroethoxy)propyl]-2-iodobenzamide
CID 114171392
N-(6-hydroxyhexyl)-2-iodo-5-nitrobenzamide
CID 103919166
3-chloro-N-(4-hydroxybutyl)-4-iodobenzamide
CID 106842281
4-chloro-N-(5-hydroxypentyl)benzamide
CID 107318437
5-chloro-N-(2-cyclobutylethyl)-2-iodobenzamide
CID 103747308
5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-iodobenzamide
CID 104957603
N-(3-amino-2-hydroxy-3-oxopropyl)-5-chloro-2-iodobenzamide
CID 107261187

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-hydroxypentyl)-2-iodobenzamide?
The IUPAC name of 5-chloro-N-(5-hydroxypentyl)-2-iodobenzamide (CID 107342948) is 5-chloro-N-(5-hydroxypentyl)-2-iodobenzamide.
What is the SMILES notation for 5-chloro-N-(5-hydroxypentyl)-2-iodobenzamide?
The canonical SMILES for 5-chloro-N-(5-hydroxypentyl)-2-iodobenzamide is O=C(NCCCCCO)c1cc(Cl)ccc1I.
What is the InChIKey of 5-chloro-N-(5-hydroxypentyl)-2-iodobenzamide?
The InChIKey is IYOSFXHUPWLMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClINO2/c13-9-4-5-11(14)10(8-9)12(17)15-6-2-1-3-7-16/h4-5,8,16H,1-3,6-7H2,(H,15,17).
What are the key properties of 5-chloro-N-(5-hydroxypentyl)-2-iodobenzamide?
5-chloro-N-(5-hydroxypentyl)-2-iodobenzamide has a molecular weight of 367.61 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-hydroxypentyl)-2-iodobenzamide is sourced from PubChem (CID 107342948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).