N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-iodobenzamide

C13H16INO3 — CID 107301897

IUPACN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-iodobenzamide
SMILESCC1OCCC1(O)CNC(=O)c1cccc(I)c1
InChIInChI=1S/C13H16INO3/c1-9-13(17,5-6-18-9)8-15-12(16)10-3-2-4-11(14)7-10/h2-4,7,9,17H,5-6,8H2,1H3,(H,15,16)
InChIKeyCZDLYGMWWITAEN-UHFFFAOYSA-N
MW361.18 g/mol
LogP1.56
Rot. Bonds3

About N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-iodobenzamide

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-iodobenzamide (PubChem CID 107301897) has the molecular formula C13H16INO3 and a molecular weight of 361.18 g/mol. Its IUPAC name is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-iodobenzamide
PubChem CID107301897
Molecular FormulaC13H16INO3
Molecular Weight361.18 g/mol
Exact Mass361.02
IUPAC NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-iodobenzamide
SMILESCC1OCCC1(O)CNC(=O)c1cccc(I)c1
InChIInChI=1S/C13H16INO3/c1-9-13(17,5-6-18-9)8-15-12(16)10-3-2-4-11(14)7-10/h2-4,7,9,17H,5-6,8H2,1H3,(H,15,16)
InChIKeyCZDLYGMWWITAEN-UHFFFAOYSA-N
XLogP1.56
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 51.56
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

3-(dimethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107301705
4-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzene-1,4-dicarboxamide
CID 107302150
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylbenzamide
CID 107302098
4-tert-butyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107301763
3,5-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107302216
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-indole-5-carboxamide
CID 107302119
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide
CID 107301506
3-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methoxybenzamide
CID 107301628
3-bromo-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-5-methylbenzamide
CID 107302290
2-hydroxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylbenzamide
CID 107301454
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-propan-2-yloxybenzamide
CID 107302261
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpyridine-2-carboxamide
CID 107301519

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-iodobenzamide?
The IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-iodobenzamide (CID 107301897) is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-iodobenzamide.
What is the SMILES notation for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-iodobenzamide?
The canonical SMILES for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-iodobenzamide is CC1OCCC1(O)CNC(=O)c1cccc(I)c1.
What is the InChIKey of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-iodobenzamide?
The InChIKey is CZDLYGMWWITAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16INO3/c1-9-13(17,5-6-18-9)8-15-12(16)10-3-2-4-11(14)7-10/h2-4,7,9,17H,5-6,8H2,1H3,(H,15,16).
What are the key properties of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-iodobenzamide?
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-iodobenzamide has a molecular weight of 361.18 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-iodobenzamide is sourced from PubChem (CID 107301897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).