2-hydroxy-5-iodo-N-[2-oxo-2-(propylamino)ethyl]benzamide

C12H15IN2O3 — CID 103604687

IUPAC2-hydroxy-5-iodo-N-[2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)CNC(=O)c1cc(I)ccc1O
InChIInChI=1S/C12H15IN2O3/c1-2-5-14-11(17)7-15-12(18)9-6-8(13)3-4-10(9)16/h3-4,6,16H,2,5,7H2,1H3,(H,14,17)(H,15,18)
InChIKeyAJIWNOWJAGLRJB-UHFFFAOYSA-N
MW362.17 g/mol
LogP1.25
Rot. Bonds5

About 2-hydroxy-5-iodo-N-[2-oxo-2-(propylamino)ethyl]benzamide

2-hydroxy-5-iodo-N-[2-oxo-2-(propylamino)ethyl]benzamide (PubChem CID 103604687) has the molecular formula C12H15IN2O3 and a molecular weight of 362.17 g/mol. Its IUPAC name is 2-hydroxy-5-iodo-N-[2-oxo-2-(propylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-iodo-N-[2-oxo-2-(propylamino)ethyl]benzamide
PubChem CID103604687
Molecular FormulaC12H15IN2O3
Molecular Weight362.17 g/mol
Exact Mass362.01
IUPAC Name2-hydroxy-5-iodo-N-[2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)CNC(=O)c1cc(I)ccc1O
InChIInChI=1S/C12H15IN2O3/c1-2-5-14-11(17)7-15-12(18)9-6-8(13)3-4-10(9)16/h3-4,6,16H,2,5,7H2,1H3,(H,14,17)(H,15,18)
InChIKeyAJIWNOWJAGLRJB-UHFFFAOYSA-N
XLogP1.25
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 51.25
H-Bond Donors ≤ 53
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-[2-(propylamino)ethyl]benzamide
CID 107732069
2,4-dihydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 113220519
2-hydroxy-5-iodo-N-(2-methylpropyl)benzamide
CID 103600394
2-hydroxy-5-iodo-N-(3,3,3-trifluoropropyl)benzamide
CID 103713631
5-amino-2-hydroxy-N-propylbenzamide
CID 19822912
2-hydroxy-5-iodo-N-(3-methylsulfonylpropyl)benzamide
CID 113226265
2-fluoro-6-hydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 104916754
5-bromo-2-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 65306800
2-hydroxy-5-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 115577294
4-iodo-2-(methylamino)-N-propylbenzamide
CID 54521444
2-bromo-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 18162727
2-fluoro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163327

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-iodo-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The IUPAC name of 2-hydroxy-5-iodo-N-[2-oxo-2-(propylamino)ethyl]benzamide (CID 103604687) is 2-hydroxy-5-iodo-N-[2-oxo-2-(propylamino)ethyl]benzamide.
What is the SMILES notation for 2-hydroxy-5-iodo-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The canonical SMILES for 2-hydroxy-5-iodo-N-[2-oxo-2-(propylamino)ethyl]benzamide is CCCNC(=O)CNC(=O)c1cc(I)ccc1O.
What is the InChIKey of 2-hydroxy-5-iodo-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The InChIKey is AJIWNOWJAGLRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O3/c1-2-5-14-11(17)7-15-12(18)9-6-8(13)3-4-10(9)16/h3-4,6,16H,2,5,7H2,1H3,(H,14,17)(H,15,18).
What are the key properties of 2-hydroxy-5-iodo-N-[2-oxo-2-(propylamino)ethyl]benzamide?
2-hydroxy-5-iodo-N-[2-oxo-2-(propylamino)ethyl]benzamide has a molecular weight of 362.17 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-iodo-N-[2-oxo-2-(propylamino)ethyl]benzamide is sourced from PubChem (CID 103604687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).