2-(2-iodophenyl)hexanamide

C12H16INO — CID 141277814

IUPAC2-(2-iodophenyl)hexanamide
SMILESCCCCC(C(N)=O)c1ccccc1I
InChIInChI=1S/C12H16INO/c1-2-3-6-10(12(14)15)9-7-4-5-8-11(9)13/h4-5,7-8,10H,2-3,6H2,1H3,(H2,14,15)
InChIKeyQOMAUYAXUXBDII-UHFFFAOYSA-N
MW317.17 g/mol
LogP3.05
Rot. Bonds5

About 2-(2-iodophenyl)hexanamide

2-(2-iodophenyl)hexanamide (PubChem CID 141277814) has the molecular formula C12H16INO and a molecular weight of 317.17 g/mol. Its IUPAC name is 2-(2-iodophenyl)hexanamide.

Molecular Properties

Compound Name2-(2-iodophenyl)hexanamide
PubChem CID141277814
Molecular FormulaC12H16INO
Molecular Weight317.17 g/mol
Exact Mass317.03
IUPAC Name2-(2-iodophenyl)hexanamide
SMILESCCCCC(C(N)=O)c1ccccc1I
InChIInChI=1S/C12H16INO/c1-2-3-6-10(12(14)15)9-7-4-5-8-11(9)13/h4-5,7-8,10H,2-3,6H2,1H3,(H2,14,15)
InChIKeyQOMAUYAXUXBDII-UHFFFAOYSA-N
XLogP3.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2-iodophenyl)hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-aminophenyl)octanamide
CID 141183798
2-phenylheptanamide
CID 67221214
2-(7-methoxynaphthalen-1-yl)hexanamide
CID 57317749
ethane;pentan-2-one;2-phenylhexanamide
CID 143363215
2-[4-(1-amino-1-oxooctadecan-2-yl)phenyl]octadecanamide
CID 18459559
2-(2,3-dimethoxyphenyl)octanamide
CID 139684199
2-(2-iodophenyl)-3-methylnonanoic acid
CID 91011981
ethyl 2-(2-chlorophenyl)hexanoate
CID 142202893
5-(diethylamino)-2-(2-phenylphenyl)pentanamide
CID 23453800
(1S)-1-(2-iodophenyl)butan-1-amine;hydrochloride
CID 171230114
3-(2-iodophenyl)pentanediamide
CID 20546578
2-(1,3-benzodioxol-4-yl)octanamide;hydrochloride
CID 139684216

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodophenyl)hexanamide?
The IUPAC name of 2-(2-iodophenyl)hexanamide (CID 141277814) is 2-(2-iodophenyl)hexanamide.
What is the SMILES notation for 2-(2-iodophenyl)hexanamide?
The canonical SMILES for 2-(2-iodophenyl)hexanamide is CCCCC(C(N)=O)c1ccccc1I.
What is the InChIKey of 2-(2-iodophenyl)hexanamide?
The InChIKey is QOMAUYAXUXBDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO/c1-2-3-6-10(12(14)15)9-7-4-5-8-11(9)13/h4-5,7-8,10H,2-3,6H2,1H3,(H2,14,15).
What are the key properties of 2-(2-iodophenyl)hexanamide?
2-(2-iodophenyl)hexanamide has a molecular weight of 317.17 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodophenyl)hexanamide is sourced from PubChem (CID 141277814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).