N-(5-iodo-2-methylphenyl)pentanamide

C12H16INO — CID 130168054

IUPACN-(5-iodo-2-methylphenyl)pentanamide
SMILESCCCCC(=O)Nc1cc(I)ccc1C
InChIInChI=1S/C12H16INO/c1-3-4-5-12(15)14-11-8-10(13)7-6-9(11)2/h6-8H,3-5H2,1-2H3,(H,14,15)
InChIKeySWQYALIPMHUTIE-UHFFFAOYSA-N
MW317.17 g/mol
LogP3.73
Rot. Bonds4

About N-(5-iodo-2-methylphenyl)pentanamide

N-(5-iodo-2-methylphenyl)pentanamide (PubChem CID 130168054) has the molecular formula C12H16INO and a molecular weight of 317.17 g/mol. Its IUPAC name is N-(5-iodo-2-methylphenyl)pentanamide.

Molecular Properties

Compound NameN-(5-iodo-2-methylphenyl)pentanamide
PubChem CID130168054
Molecular FormulaC12H16INO
Molecular Weight317.17 g/mol
Exact Mass317.03
IUPAC NameN-(5-iodo-2-methylphenyl)pentanamide
SMILESCCCCC(=O)Nc1cc(I)ccc1C
InChIInChI=1S/C12H16INO/c1-3-4-5-12(15)14-11-8-10(13)7-6-9(11)2/h6-8H,3-5H2,1-2H3,(H,14,15)
InChIKeySWQYALIPMHUTIE-UHFFFAOYSA-N
XLogP3.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-iodo-2-methylphenyl)pentanamide?
The IUPAC name of N-(5-iodo-2-methylphenyl)pentanamide (CID 130168054) is N-(5-iodo-2-methylphenyl)pentanamide.
What is the SMILES notation for N-(5-iodo-2-methylphenyl)pentanamide?
The canonical SMILES for N-(5-iodo-2-methylphenyl)pentanamide is CCCCC(=O)Nc1cc(I)ccc1C.
What is the InChIKey of N-(5-iodo-2-methylphenyl)pentanamide?
The InChIKey is SWQYALIPMHUTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO/c1-3-4-5-12(15)14-11-8-10(13)7-6-9(11)2/h6-8H,3-5H2,1-2H3,(H,14,15).
What are the key properties of N-(5-iodo-2-methylphenyl)pentanamide?
N-(5-iodo-2-methylphenyl)pentanamide has a molecular weight of 317.17 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodo-2-methylphenyl)pentanamide is sourced from PubChem (CID 130168054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).