2-hydroxy-5-iodo-N-pent-1-yn-3-ylbenzamide

C12H12INO2 — CID 103579022

IUPAC2-hydroxy-5-iodo-N-pent-1-yn-3-ylbenzamide
SMILESC#CC(CC)NC(=O)c1cc(I)ccc1O
InChIInChI=1S/C12H12INO2/c1-3-9(4-2)14-12(16)10-7-8(13)5-6-11(10)15/h1,5-7,9,15H,4H2,2H3,(H,14,16)
InChIKeyRTZRABNBCOSBES-UHFFFAOYSA-N
MW329.14 g/mol
LogP2.14
Rot. Bonds3

About 2-hydroxy-5-iodo-N-pent-1-yn-3-ylbenzamide

2-hydroxy-5-iodo-N-pent-1-yn-3-ylbenzamide (PubChem CID 103579022) has the molecular formula C12H12INO2 and a molecular weight of 329.14 g/mol. Its IUPAC name is 2-hydroxy-5-iodo-N-pent-1-yn-3-ylbenzamide.

Molecular Properties

Compound Name2-hydroxy-5-iodo-N-pent-1-yn-3-ylbenzamide
PubChem CID103579022
Molecular FormulaC12H12INO2
Molecular Weight329.14 g/mol
Exact Mass328.99
IUPAC Name2-hydroxy-5-iodo-N-pent-1-yn-3-ylbenzamide
SMILESC#CC(CC)NC(=O)c1cc(I)ccc1O
InChIInChI=1S/C12H12INO2/c1-3-9(4-2)14-12(16)10-7-8(13)5-6-11(10)15/h1,5-7,9,15H,4H2,2H3,(H,14,16)
InChIKeyRTZRABNBCOSBES-UHFFFAOYSA-N
XLogP2.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-iodo-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 113351481
5-fluoro-N-hex-1-yn-3-yl-2-hydroxybenzamide
CID 103529109
2-iodo-N-pent-1-yn-3-ylbenzamide
CID 103579350
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-hydroxy-5-iodobenzamide
CID 107731519
2-amino-5-hydroxy-N-pent-1-yn-3-ylbenzamide
CID 106223358
3-[(2-hydroxy-5-iodobenzoyl)amino]butanoic acid
CID 107731245
2-hydroxy-5-iodo-N-(4-methoxybutan-2-yl)benzamide
CID 113229831
2,4-difluoro-N-pent-1-yn-3-ylbenzamide
CID 103579084
2-hydroxy-5-iodo-N-(6-methylheptan-2-yl)benzamide
CID 103600384
N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-5-iodobenzamide
CID 103713644
3,5-dihydroxy-N-pent-1-yn-3-ylbenzamide
CID 103579335
2-bromo-N-pent-1-yn-3-ylbenzamide
CID 103579076

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-iodo-N-pent-1-yn-3-ylbenzamide?
The IUPAC name of 2-hydroxy-5-iodo-N-pent-1-yn-3-ylbenzamide (CID 103579022) is 2-hydroxy-5-iodo-N-pent-1-yn-3-ylbenzamide.
What is the SMILES notation for 2-hydroxy-5-iodo-N-pent-1-yn-3-ylbenzamide?
The canonical SMILES for 2-hydroxy-5-iodo-N-pent-1-yn-3-ylbenzamide is C#CC(CC)NC(=O)c1cc(I)ccc1O.
What is the InChIKey of 2-hydroxy-5-iodo-N-pent-1-yn-3-ylbenzamide?
The InChIKey is RTZRABNBCOSBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12INO2/c1-3-9(4-2)14-12(16)10-7-8(13)5-6-11(10)15/h1,5-7,9,15H,4H2,2H3,(H,14,16).
What are the key properties of 2-hydroxy-5-iodo-N-pent-1-yn-3-ylbenzamide?
2-hydroxy-5-iodo-N-pent-1-yn-3-ylbenzamide has a molecular weight of 329.14 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-iodo-N-pent-1-yn-3-ylbenzamide is sourced from PubChem (CID 103579022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).