N-(azetidin-3-yl)-N-ethyl-2-hydroxy-5-iodobenzamide

C12H15IN2O2 — CID 107732147

IUPACN-(azetidin-3-yl)-N-ethyl-2-hydroxy-5-iodobenzamide
SMILESCCN(C(=O)c1cc(I)ccc1O)C1CNC1
InChIInChI=1S/C12H15IN2O2/c1-2-15(9-6-14-7-9)12(17)10-5-8(13)3-4-11(10)16/h3-5,9,14,16H,2,6-7H2,1H3
InChIKeyBEAROFJJGBZQRY-UHFFFAOYSA-N
MW346.17 g/mol
LogP1.43
Rot. Bonds3

About N-(azetidin-3-yl)-N-ethyl-2-hydroxy-5-iodobenzamide

N-(azetidin-3-yl)-N-ethyl-2-hydroxy-5-iodobenzamide (PubChem CID 107732147) has the molecular formula C12H15IN2O2 and a molecular weight of 346.17 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-ethyl-2-hydroxy-5-iodobenzamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-ethyl-2-hydroxy-5-iodobenzamide
PubChem CID107732147
Molecular FormulaC12H15IN2O2
Molecular Weight346.17 g/mol
Exact Mass346.02
IUPAC NameN-(azetidin-3-yl)-N-ethyl-2-hydroxy-5-iodobenzamide
SMILESCCN(C(=O)c1cc(I)ccc1O)C1CNC1
InChIInChI=1S/C12H15IN2O2/c1-2-15(9-6-14-7-9)12(17)10-5-8(13)3-4-11(10)16/h3-5,9,14,16H,2,6-7H2,1H3
InChIKeyBEAROFJJGBZQRY-UHFFFAOYSA-N
XLogP1.43
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-hydroxy-5-iodobenzamide
CID 107732052
2-hydroxy-5-iodo-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 107732095
2-hydroxy-5-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 107732093
N-ethyl-5-fluoro-2-hydroxy-N-piperidin-4-ylbenzamide
CID 115299350
N-(azetidin-3-yl)-N-ethyl-2-hydroxy-4-methoxybenzamide
CID 66184450
N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide
CID 66182738
N-(azetidin-3-yl)-N-ethyl-2-hydroxy-3-methylbenzamide
CID 66184674
N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-iodobenzamide
CID 107732739
2-hydroxy-5-iodo-N,N-dipropylbenzamide
CID 103602027
N-ethyl-2-hydroxy-5-iodo-N-(2,2,2-trifluoroethyl)benzamide
CID 103614051
N-ethyl-2-hydroxy-5-iodo-N-(piperidin-2-ylmethyl)benzamide
CID 107732253
N-(azetidin-3-yl)-N-ethyl-2-methoxy-5-methylbenzamide
CID 66181476

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-ethyl-2-hydroxy-5-iodobenzamide?
The IUPAC name of N-(azetidin-3-yl)-N-ethyl-2-hydroxy-5-iodobenzamide (CID 107732147) is N-(azetidin-3-yl)-N-ethyl-2-hydroxy-5-iodobenzamide.
What is the SMILES notation for N-(azetidin-3-yl)-N-ethyl-2-hydroxy-5-iodobenzamide?
The canonical SMILES for N-(azetidin-3-yl)-N-ethyl-2-hydroxy-5-iodobenzamide is CCN(C(=O)c1cc(I)ccc1O)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-N-ethyl-2-hydroxy-5-iodobenzamide?
The InChIKey is BEAROFJJGBZQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O2/c1-2-15(9-6-14-7-9)12(17)10-5-8(13)3-4-11(10)16/h3-5,9,14,16H,2,6-7H2,1H3.
What are the key properties of N-(azetidin-3-yl)-N-ethyl-2-hydroxy-5-iodobenzamide?
N-(azetidin-3-yl)-N-ethyl-2-hydroxy-5-iodobenzamide has a molecular weight of 346.17 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-ethyl-2-hydroxy-5-iodobenzamide is sourced from PubChem (CID 107732147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).