N-(3-iodophenyl)octanamide

C14H20INO — CID 55026619

IUPACN-(3-iodophenyl)octanamide
SMILESCCCCCCCC(=O)Nc1cccc(I)c1
InChIInChI=1S/C14H20INO/c1-2-3-4-5-6-10-14(17)16-13-9-7-8-12(15)11-13/h7-9,11H,2-6,10H2,1H3,(H,16,17)
InChIKeyVZILTGWMDYJBRX-UHFFFAOYSA-N
MW345.22 g/mol
LogP4.59
Rot. Bonds7

About N-(3-iodophenyl)octanamide

N-(3-iodophenyl)octanamide (PubChem CID 55026619) has the molecular formula C14H20INO and a molecular weight of 345.22 g/mol. Its IUPAC name is N-(3-iodophenyl)octanamide.

Molecular Properties

Compound NameN-(3-iodophenyl)octanamide
PubChem CID55026619
Molecular FormulaC14H20INO
Molecular Weight345.22 g/mol
Exact Mass345.06
IUPAC NameN-(3-iodophenyl)octanamide
SMILESCCCCCCCC(=O)Nc1cccc(I)c1
InChIInChI=1S/C14H20INO/c1-2-3-4-5-6-10-14(17)16-13-9-7-8-12(15)11-13/h7-9,11H,2-6,10H2,1H3,(H,16,17)
InChIKeyVZILTGWMDYJBRX-UHFFFAOYSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

5-hydroxy-N-(3-iodophenyl)pentanamide
CID 79199444
N-(3-hydroxyphenyl)nonadecanamide
CID 19039287
4-hydroxy-N-(3-iodophenyl)butanamide
CID 79204561
N-(3-sulfanylphenyl)heptanamide
CID 173451208
N-(3-bromophenyl)heptanamide
CID 4596383
N-(3-ethylphenyl)decanamide
CID 4053743
3-(heptanoylamino)benzamide
CID 54789184
N-phenylheptatetracontanamide
CID 150503307
N-phenylpentacosanamide
CID 19025260
N-[3-[(2-bromoacetyl)amino]phenyl]hexanamide
CID 46736711
N-[3-[[3-(hexanoylamino)phenyl]methyl]phenyl]hexanamide
CID 101187552
N,N'-bis[3-(propanoylamino)phenyl]nonanediamide
CID 17188809

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)octanamide?
The IUPAC name of N-(3-iodophenyl)octanamide (CID 55026619) is N-(3-iodophenyl)octanamide.
What is the SMILES notation for N-(3-iodophenyl)octanamide?
The canonical SMILES for N-(3-iodophenyl)octanamide is CCCCCCCC(=O)Nc1cccc(I)c1.
What is the InChIKey of N-(3-iodophenyl)octanamide?
The InChIKey is VZILTGWMDYJBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20INO/c1-2-3-4-5-6-10-14(17)16-13-9-7-8-12(15)11-13/h7-9,11H,2-6,10H2,1H3,(H,16,17).
What are the key properties of N-(3-iodophenyl)octanamide?
N-(3-iodophenyl)octanamide has a molecular weight of 345.22 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)octanamide is sourced from PubChem (CID 55026619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).