3-hydroxy-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide

C13H16INO3 — CID 104627700

IUPAC3-hydroxy-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(I)c(O)c1)C1CCCO1
InChIInChI=1S/C13H16INO3/c1-8(12-3-2-6-18-12)15-13(17)9-4-5-10(14)11(16)7-9/h4-5,7-8,12,16H,2-3,6H2,1H3,(H,15,17)
InChIKeyRSELSUZUIPPTLU-UHFFFAOYSA-N
MW361.18 g/mol
LogP2.29
Rot. Bonds3

About 3-hydroxy-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide

3-hydroxy-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide (PubChem CID 104627700) has the molecular formula C13H16INO3 and a molecular weight of 361.18 g/mol. Its IUPAC name is 3-hydroxy-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide
PubChem CID104627700
Molecular FormulaC13H16INO3
Molecular Weight361.18 g/mol
Exact Mass361.02
IUPAC Name3-hydroxy-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(I)c(O)c1)C1CCCO1
InChIInChI=1S/C13H16INO3/c1-8(12-3-2-6-18-12)15-13(17)9-4-5-10(14)11(16)7-9/h4-5,7-8,12,16H,2-3,6H2,1H3,(H,15,17)
InChIKeyRSELSUZUIPPTLU-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
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-chloro-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 103735000
N-(1-cyclopropylethyl)-3-hydroxy-4-iodobenzamide
CID 104627471
4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 27232652
N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 6468560
3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 27233431
N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2H-benzotriazole-5-carboxamide
CID 35246882
4-(chloromethyl)-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43533877
5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 98786018
2-methyl-5-[1-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 65371905
N-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 43533899
4-chloro-3-methylsulfonyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 35230890
4-methyl-3-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 35226421

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide?
The IUPAC name of 3-hydroxy-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide (CID 104627700) is 3-hydroxy-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-hydroxy-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide?
The canonical SMILES for 3-hydroxy-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide is CC(NC(=O)c1ccc(I)c(O)c1)C1CCCO1.
What is the InChIKey of 3-hydroxy-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide?
The InChIKey is RSELSUZUIPPTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16INO3/c1-8(12-3-2-6-18-12)15-13(17)9-4-5-10(14)11(16)7-9/h4-5,7-8,12,16H,2-3,6H2,1H3,(H,15,17).
What are the key properties of 3-hydroxy-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide?
3-hydroxy-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide has a molecular weight of 361.18 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide is sourced from PubChem (CID 104627700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).