N-(5-hydroxypentyl)-2-iodobenzamide

C12H16INO2 — CID 107317870

IUPACN-(5-hydroxypentyl)-2-iodobenzamide
SMILESO=C(NCCCCCO)c1ccccc1I
InChIInChI=1S/C12H16INO2/c13-11-7-3-2-6-10(11)12(16)14-8-4-1-5-9-15/h2-3,6-7,15H,1,4-5,8-9H2,(H,14,16)
InChIKeyPNGPIUULKCYNAP-UHFFFAOYSA-N
MW333.17 g/mol
LogP2.18
Rot. Bonds6

About N-(5-hydroxypentyl)-2-iodobenzamide

N-(5-hydroxypentyl)-2-iodobenzamide (PubChem CID 107317870) has the molecular formula C12H16INO2 and a molecular weight of 333.17 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-2-iodobenzamide
PubChem CID107317870
Molecular FormulaC12H16INO2
Molecular Weight333.17 g/mol
Exact Mass333.02
IUPAC NameN-(5-hydroxypentyl)-2-iodobenzamide
SMILESO=C(NCCCCCO)c1ccccc1I
InChIInChI=1S/C12H16INO2/c13-11-7-3-2-6-10(11)12(16)14-8-4-1-5-9-15/h2-3,6-7,15H,1,4-5,8-9H2,(H,14,16)
InChIKeyPNGPIUULKCYNAP-UHFFFAOYSA-N
XLogP2.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 52.18
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-(6-bromohexyl)-2-iodobenzamide
CID 107847400
4-[(2-iodobenzoyl)amino]butanoic acid
CID 16775783
N-(3-acetamidopropyl)-2-iodobenzamide
CID 38450093
N-hex-5-ynyl-2-iodobenzamide
CID 103758134
2-ethyl-N-(6-hydroxyhexyl)benzamide
CID 103918854
2-iodo-N-[3-[(2-iodobenzoyl)-methylamino]propyl]benzamide
CID 43833989
5-chloro-N-(5-hydroxypentyl)-2-iodobenzamide
CID 107342948
2-iodo-N-pent-4-ynylbenzamide
CID 103709110
2-hydroxy-N-[2-[(2-iodobenzoyl)amino]ethyl]benzamide
CID 108539161
2-iodo-N-[4-(2-methoxyethoxy)butyl]benzamide
CID 113229092
N-(4-chloropentyl)-2-iodobenzamide
CID 106129201
N-[3-(cyclopropylamino)propyl]-2-iodobenzamide
CID 43596355

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-2-iodobenzamide?
The IUPAC name of N-(5-hydroxypentyl)-2-iodobenzamide (CID 107317870) is N-(5-hydroxypentyl)-2-iodobenzamide.
What is the SMILES notation for N-(5-hydroxypentyl)-2-iodobenzamide?
The canonical SMILES for N-(5-hydroxypentyl)-2-iodobenzamide is O=C(NCCCCCO)c1ccccc1I.
What is the InChIKey of N-(5-hydroxypentyl)-2-iodobenzamide?
The InChIKey is PNGPIUULKCYNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO2/c13-11-7-3-2-6-10(11)12(16)14-8-4-1-5-9-15/h2-3,6-7,15H,1,4-5,8-9H2,(H,14,16).
What are the key properties of N-(5-hydroxypentyl)-2-iodobenzamide?
N-(5-hydroxypentyl)-2-iodobenzamide has a molecular weight of 333.17 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-2-iodobenzamide is sourced from PubChem (CID 107317870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).