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

C12H17IN2O2 — CID 107732069

IUPAC2-hydroxy-5-iodo-N-[2-(propylamino)ethyl]benzamide
SMILESCCCNCCNC(=O)c1cc(I)ccc1O
InChIInChI=1S/C12H17IN2O2/c1-2-5-14-6-7-15-12(17)10-8-9(13)3-4-11(10)16/h3-4,8,14,16H,2,5-7H2,1H3,(H,15,17)
InChIKeySDEBAFMOPMYYSO-UHFFFAOYSA-N
MW348.18 g/mol
LogP1.73
Rot. Bonds6

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

2-hydroxy-5-iodo-N-[2-(propylamino)ethyl]benzamide (PubChem CID 107732069) has the molecular formula C12H17IN2O2 and a molecular weight of 348.18 g/mol. Its IUPAC name is 2-hydroxy-5-iodo-N-[2-(propylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-iodo-N-[2-(propylamino)ethyl]benzamide
PubChem CID107732069
Molecular FormulaC12H17IN2O2
Molecular Weight348.18 g/mol
Exact Mass348.03
IUPAC Name2-hydroxy-5-iodo-N-[2-(propylamino)ethyl]benzamide
SMILESCCCNCCNC(=O)c1cc(I)ccc1O
InChIInChI=1S/C12H17IN2O2/c1-2-5-14-6-7-15-12(17)10-8-9(13)3-4-11(10)16/h3-4,8,14,16H,2,5-7H2,1H3,(H,15,17)
InChIKeySDEBAFMOPMYYSO-UHFFFAOYSA-N
XLogP1.73
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.18
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-5-methyl-N-[2-(propylamino)ethyl]benzamide
CID 55100965
2-hydroxy-5-iodo-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 103604687
3,4-dihydroxy-N-[2-(propylamino)ethyl]benzamide
CID 107728714
2-hydroxy-5-iodo-N-(3,3,3-trifluoropropyl)benzamide
CID 103713631
2-hydroxy-5-iodo-N-(3-methylsulfonylpropyl)benzamide
CID 113226265
2-hydroxy-5-iodo-N-(2-methylpropyl)benzamide
CID 103600394
N-[2-(ethylamino)ethyl]-2,5-dihydroxybenzamide
CID 107725067
4-fluoro-2-hydroxy-N-[2-(propylamino)ethyl]benzamide
CID 107015821
2-hydroxy-5-iodo-N-(4,4,4-trifluorobutyl)benzamide
CID 113246125
2-hydroxy-5-iodo-N-(2-pyrrol-1-ylethyl)benzamide
CID 103725448
5-amino-2-hydroxy-N-propylbenzamide
CID 19822912
2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide
CID 101177175

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-iodo-N-[2-(propylamino)ethyl]benzamide?
The IUPAC name of 2-hydroxy-5-iodo-N-[2-(propylamino)ethyl]benzamide (CID 107732069) is 2-hydroxy-5-iodo-N-[2-(propylamino)ethyl]benzamide.
What is the SMILES notation for 2-hydroxy-5-iodo-N-[2-(propylamino)ethyl]benzamide?
The canonical SMILES for 2-hydroxy-5-iodo-N-[2-(propylamino)ethyl]benzamide is CCCNCCNC(=O)c1cc(I)ccc1O.
What is the InChIKey of 2-hydroxy-5-iodo-N-[2-(propylamino)ethyl]benzamide?
The InChIKey is SDEBAFMOPMYYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2O2/c1-2-5-14-6-7-15-12(17)10-8-9(13)3-4-11(10)16/h3-4,8,14,16H,2,5-7H2,1H3,(H,15,17).
What are the key properties of 2-hydroxy-5-iodo-N-[2-(propylamino)ethyl]benzamide?
2-hydroxy-5-iodo-N-[2-(propylamino)ethyl]benzamide has a molecular weight of 348.18 g/mol, XLogP of 1.73, 6 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-(propylamino)ethyl]benzamide is sourced from PubChem (CID 107732069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).