2-hydroxy-5-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide

C12H15IN2O2 — CID 107732093

IUPAC2-hydroxy-5-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCN(C(=O)c1cc(I)ccc1O)C1CCNC1
InChIInChI=1S/C12H15IN2O2/c1-15(9-4-5-14-7-9)12(17)10-6-8(13)2-3-11(10)16/h2-3,6,9,14,16H,4-5,7H2,1H3
InChIKeyLAPSNESHMQQXGA-UHFFFAOYSA-N
MW346.17 g/mol
LogP1.43
Rot. Bonds2

About 2-hydroxy-5-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide

2-hydroxy-5-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 107732093) has the molecular formula C12H15IN2O2 and a molecular weight of 346.17 g/mol. Its IUPAC name is 2-hydroxy-5-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name2-hydroxy-5-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide
PubChem CID107732093
Molecular FormulaC12H15IN2O2
Molecular Weight346.17 g/mol
Exact Mass346.02
IUPAC Name2-hydroxy-5-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCN(C(=O)c1cc(I)ccc1O)C1CCNC1
InChIInChI=1S/C12H15IN2O2/c1-15(9-4-5-14-7-9)12(17)10-6-8(13)2-3-11(10)16/h2-3,6,9,14,16H,4-5,7H2,1H3
InChIKeyLAPSNESHMQQXGA-UHFFFAOYSA-N
XLogP1.43
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.17
LogP ≤ 51.43
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-propyl-N-pyrrolidin-3-ylbenzamide
CID 107732095
2-hydroxy-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide
CID 103606106
2-hydroxy-5-iodo-N-methyl-N-(oxolan-3-yl)benzamide
CID 113258754
N-(azetidin-3-yl)-2,5-dihydroxy-N-methylbenzamide
CID 107725203
3-hydroxy-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 82829855
N-(azetidin-3-yl)-N-ethyl-2-hydroxy-5-iodobenzamide
CID 107732147
2,4-dibromo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 114018493
N-(azepan-4-yl)-5-chloro-2-hydroxy-N-methylbenzamide
CID 107172538
3-chloro-4-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 103806752
N,4-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide
CID 119550200
2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 79749564
N,2-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide;hydrochloride
CID 119554205

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 2-hydroxy-5-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide (CID 107732093) is 2-hydroxy-5-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 2-hydroxy-5-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 2-hydroxy-5-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide is CN(C(=O)c1cc(I)ccc1O)C1CCNC1.
What is the InChIKey of 2-hydroxy-5-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is LAPSNESHMQQXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O2/c1-15(9-4-5-14-7-9)12(17)10-6-8(13)2-3-11(10)16/h2-3,6,9,14,16H,4-5,7H2,1H3.
What are the key properties of 2-hydroxy-5-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide?
2-hydroxy-5-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide has a molecular weight of 346.17 g/mol, XLogP of 1.43, 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-methyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 107732093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).