N-hexyl-3-hydroxy-4-iodobenzamide

C13H18INO2 — CID 104627562

IUPACN-hexyl-3-hydroxy-4-iodobenzamide
SMILESCCCCCCNC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C13H18INO2/c1-2-3-4-5-8-15-13(17)10-6-7-11(14)12(16)9-10/h6-7,9,16H,2-5,8H2,1H3,(H,15,17)
InChIKeyKCQWIKOIKIVYON-UHFFFAOYSA-N
MW347.20 g/mol
LogP3.31
Rot. Bonds6

About N-hexyl-3-hydroxy-4-iodobenzamide

N-hexyl-3-hydroxy-4-iodobenzamide (PubChem CID 104627562) has the molecular formula C13H18INO2 and a molecular weight of 347.20 g/mol. Its IUPAC name is N-hexyl-3-hydroxy-4-iodobenzamide.

Molecular Properties

Compound NameN-hexyl-3-hydroxy-4-iodobenzamide
PubChem CID104627562
Molecular FormulaC13H18INO2
Molecular Weight347.20 g/mol
Exact Mass347.04
IUPAC NameN-hexyl-3-hydroxy-4-iodobenzamide
SMILESCCCCCCNC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C13H18INO2/c1-2-3-4-5-8-15-13(17)10-6-7-11(14)12(16)9-10/h6-7,9,16H,2-5,8H2,1H3,(H,15,17)
InChIKeyKCQWIKOIKIVYON-UHFFFAOYSA-N
XLogP3.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 53.31
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-(3-butoxypropyl)-3-hydroxy-4-iodobenzamide
CID 104627387
3-chloro-N-decyl-4-iodobenzamide
CID 103222152
4-amino-N-dodecyl-3-hydroxybenzamide
CID 22411110
N-(2-ethylsulfonylethyl)-3-hydroxy-4-iodobenzamide
CID 104628255
N-hexyl-3,4-dimethylbenzamide
CID 4523484
3-hydroxy-4-iodo-N-(4,4,4-trifluorobutyl)benzamide
CID 104629259
3-hydroxy-4-nitro-N-octylbenzamide
CID 107076296
N-decyl-4-hydroxybenzamide
CID 15277871
N-hexyl-4-hydroxy-3-methoxybenzamide
CID 177108145
3,4-diamino-N-dodecylbenzamide
CID 22411166
3-hydroxy-N-octylbenzamide
CID 115568584
3,4-difluoro-N-heptylbenzamide
CID 91717416

Frequently Asked Questions

What is the IUPAC name of N-hexyl-3-hydroxy-4-iodobenzamide?
The IUPAC name of N-hexyl-3-hydroxy-4-iodobenzamide (CID 104627562) is N-hexyl-3-hydroxy-4-iodobenzamide.
What is the SMILES notation for N-hexyl-3-hydroxy-4-iodobenzamide?
The canonical SMILES for N-hexyl-3-hydroxy-4-iodobenzamide is CCCCCCNC(=O)c1ccc(I)c(O)c1.
What is the InChIKey of N-hexyl-3-hydroxy-4-iodobenzamide?
The InChIKey is KCQWIKOIKIVYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO2/c1-2-3-4-5-8-15-13(17)10-6-7-11(14)12(16)9-10/h6-7,9,16H,2-5,8H2,1H3,(H,15,17).
What are the key properties of N-hexyl-3-hydroxy-4-iodobenzamide?
N-hexyl-3-hydroxy-4-iodobenzamide has a molecular weight of 347.20 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3-hydroxy-4-iodobenzamide is sourced from PubChem (CID 104627562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).