2-hydroxy-5-iodo-N-(4-methyloxan-4-yl)benzamide

C13H16INO3 — CID 103525818

IUPAC2-hydroxy-5-iodo-N-(4-methyloxan-4-yl)benzamide
SMILESCC1(NC(=O)c2cc(I)ccc2O)CCOCC1
InChIInChI=1S/C13H16INO3/c1-13(4-6-18-7-5-13)15-12(17)10-8-9(14)2-3-11(10)16/h2-3,8,16H,4-7H2,1H3,(H,15,17)
InChIKeyTVUHHYRVENHVTL-UHFFFAOYSA-N
MW361.18 g/mol
LogP2.30
Rot. Bonds2

About 2-hydroxy-5-iodo-N-(4-methyloxan-4-yl)benzamide

2-hydroxy-5-iodo-N-(4-methyloxan-4-yl)benzamide (PubChem CID 103525818) has the molecular formula C13H16INO3 and a molecular weight of 361.18 g/mol. Its IUPAC name is 2-hydroxy-5-iodo-N-(4-methyloxan-4-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-iodo-N-(4-methyloxan-4-yl)benzamide
PubChem CID103525818
Molecular FormulaC13H16INO3
Molecular Weight361.18 g/mol
Exact Mass361.02
IUPAC Name2-hydroxy-5-iodo-N-(4-methyloxan-4-yl)benzamide
SMILESCC1(NC(=O)c2cc(I)ccc2O)CCOCC1
InChIInChI=1S/C13H16INO3/c1-13(4-6-18-7-5-13)15-12(17)10-8-9(14)2-3-11(10)16/h2-3,8,16H,4-7H2,1H3,(H,15,17)
InChIKeyTVUHHYRVENHVTL-UHFFFAOYSA-N
XLogP2.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-iodo-N-(1-methylcyclobutyl)benzamide
CID 103525844
2-hydroxy-N-(4-methyloxan-4-yl)benzamide
CID 113324402
4-chloro-2-hydroxy-N-(4-methyloxan-4-yl)benzamide
CID 115761034
4-hydroxy-2-methyl-N-(4-methyloxan-4-yl)benzamide
CID 113341747
5-fluoro-2-hydroxy-N-(1-methylcyclopropyl)benzamide
CID 115883770
2-iodo-N-(4-methyloxan-4-yl)-5-nitrobenzamide
CID 115759649
2-hydroxy-5-iodo-N-(2-methylpropyl)benzamide
CID 103600394
5-bromo-2-hydroxy-N-(1-methylcyclohexyl)benzamide
CID 107729723
3-hydroxy-N-(3-methyloxolan-3-yl)naphthalene-2-carboxamide
CID 115769327
2,5-dihydroxy-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106297310
5-bromo-2-chloro-N-(4-methyloxan-4-yl)benzamide
CID 115759553
2-hydroxy-5-iodo-N-(2-morpholin-4-ylethyl)benzamide
CID 103600398

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-iodo-N-(4-methyloxan-4-yl)benzamide?
The IUPAC name of 2-hydroxy-5-iodo-N-(4-methyloxan-4-yl)benzamide (CID 103525818) is 2-hydroxy-5-iodo-N-(4-methyloxan-4-yl)benzamide.
What is the SMILES notation for 2-hydroxy-5-iodo-N-(4-methyloxan-4-yl)benzamide?
The canonical SMILES for 2-hydroxy-5-iodo-N-(4-methyloxan-4-yl)benzamide is CC1(NC(=O)c2cc(I)ccc2O)CCOCC1.
What is the InChIKey of 2-hydroxy-5-iodo-N-(4-methyloxan-4-yl)benzamide?
The InChIKey is TVUHHYRVENHVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16INO3/c1-13(4-6-18-7-5-13)15-12(17)10-8-9(14)2-3-11(10)16/h2-3,8,16H,4-7H2,1H3,(H,15,17).
What are the key properties of 2-hydroxy-5-iodo-N-(4-methyloxan-4-yl)benzamide?
2-hydroxy-5-iodo-N-(4-methyloxan-4-yl)benzamide has a molecular weight of 361.18 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-iodo-N-(4-methyloxan-4-yl)benzamide is sourced from PubChem (CID 103525818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).