N-iodooctanamide

C8H16INO — CID 19040107

IUPACN-iodooctanamide
SMILESCCCCCCCC(=O)NI
InChIInChI=1S/C8H16INO/c1-2-3-4-5-6-7-8(11)10-9/h2-7H2,1H3,(H,10,11)
InChIKeyWKWLIGDFRWMWBQ-UHFFFAOYSA-N
MW269.13 g/mol
LogP2.81
Rot. Bonds6

About N-iodooctanamide

N-iodooctanamide (PubChem CID 19040107) has the molecular formula C8H16INO and a molecular weight of 269.13 g/mol. Its IUPAC name is N-iodooctanamide.

Molecular Properties

Compound NameN-iodooctanamide
PubChem CID19040107
Molecular FormulaC8H16INO
Molecular Weight269.13 g/mol
Exact Mass269.03
IUPAC NameN-iodooctanamide
SMILESCCCCCCCC(=O)NI
InChIInChI=1S/C8H16INO/c1-2-3-4-5-6-7-8(11)10-9/h2-7H2,1H3,(H,10,11)
InChIKeyWKWLIGDFRWMWBQ-UHFFFAOYSA-N
XLogP2.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 52.81
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'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-iodooctanamide?
The IUPAC name of N-iodooctanamide (CID 19040107) is N-iodooctanamide.
What is the SMILES notation for N-iodooctanamide?
The canonical SMILES for N-iodooctanamide is CCCCCCCC(=O)NI.
What is the InChIKey of N-iodooctanamide?
The InChIKey is WKWLIGDFRWMWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16INO/c1-2-3-4-5-6-7-8(11)10-9/h2-7H2,1H3,(H,10,11).
What are the key properties of N-iodooctanamide?
N-iodooctanamide has a molecular weight of 269.13 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodooctanamide is sourced from PubChem (CID 19040107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).