N-hex-5-ynyl-2-iodobenzamide

C13H14INO — CID 103758134

IUPACN-hex-5-ynyl-2-iodobenzamide
SMILESC#CCCCCNC(=O)c1ccccc1I
InChIInChI=1S/C13H14INO/c1-2-3-4-7-10-15-13(16)11-8-5-6-9-12(11)14/h1,5-6,8-9H,3-4,7,10H2,(H,15,16)
InChIKeyDYGJKUFFDBLYLW-UHFFFAOYSA-N
MW327.16 g/mol
LogP2.82
Rot. Bonds5

About N-hex-5-ynyl-2-iodobenzamide

N-hex-5-ynyl-2-iodobenzamide (PubChem CID 103758134) has the molecular formula C13H14INO and a molecular weight of 327.16 g/mol. Its IUPAC name is N-hex-5-ynyl-2-iodobenzamide.

Molecular Properties

Compound NameN-hex-5-ynyl-2-iodobenzamide
PubChem CID103758134
Molecular FormulaC13H14INO
Molecular Weight327.16 g/mol
Exact Mass327.01
IUPAC NameN-hex-5-ynyl-2-iodobenzamide
SMILESC#CCCCCNC(=O)c1ccccc1I
InChIInChI=1S/C13H14INO/c1-2-3-4-7-10-15-13(16)11-8-5-6-9-12(11)14/h1,5-6,8-9H,3-4,7,10H2,(H,15,16)
InChIKeyDYGJKUFFDBLYLW-UHFFFAOYSA-N
XLogP2.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.16
LogP ≤ 52.82
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-iodo-N-pent-4-ynylbenzamide
CID 103709110
N-hex-5-ynylnaphthalene-1-carboxamide
CID 103757850
N-(5-hydroxypentyl)-2-iodobenzamide
CID 107317870
2-iodo-N-prop-2-ynylbenzamide
CID 18110013
N-(6-bromohexyl)-2-iodobenzamide
CID 107847400
3-amino-N-hex-5-ynyl-2-hydroxybenzamide
CID 114158327
4-[(2-iodobenzoyl)amino]butanoic acid
CID 16775783
N-(3-acetamidopropyl)-2-iodobenzamide
CID 38450093
2-ethyl-N-pent-4-ynylbenzamide
CID 103816602
2-chloro-3-fluoro-N-hex-5-ynylbenzamide
CID 103757958
N-hex-5-ynylthiophene-2-carboxamide
CID 103758137
2-hydroxy-N-[2-[(2-iodobenzoyl)amino]ethyl]benzamide
CID 108539161

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynyl-2-iodobenzamide?
The IUPAC name of N-hex-5-ynyl-2-iodobenzamide (CID 103758134) is N-hex-5-ynyl-2-iodobenzamide.
What is the SMILES notation for N-hex-5-ynyl-2-iodobenzamide?
The canonical SMILES for N-hex-5-ynyl-2-iodobenzamide is C#CCCCCNC(=O)c1ccccc1I.
What is the InChIKey of N-hex-5-ynyl-2-iodobenzamide?
The InChIKey is DYGJKUFFDBLYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14INO/c1-2-3-4-7-10-15-13(16)11-8-5-6-9-12(11)14/h1,5-6,8-9H,3-4,7,10H2,(H,15,16).
What are the key properties of N-hex-5-ynyl-2-iodobenzamide?
N-hex-5-ynyl-2-iodobenzamide has a molecular weight of 327.16 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynyl-2-iodobenzamide is sourced from PubChem (CID 103758134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).