N-[3-(ethylaminomethyl)phenyl]-2-hydroxy-5-iodobenzamide

C16H17IN2O2 — CID 107732035

IUPACN-[3-(ethylaminomethyl)phenyl]-2-hydroxy-5-iodobenzamide
SMILESCCNCc1cccc(NC(=O)c2cc(I)ccc2O)c1
InChIInChI=1S/C16H17IN2O2/c1-2-18-10-11-4-3-5-13(8-11)19-16(21)14-9-12(17)6-7-15(14)20/h3-9,18,20H,2,10H2,1H3,(H,19,21)
InChIKeyZHSLBEXHIQSPRG-UHFFFAOYSA-N
MW396.23 g/mol
LogP3.36
Rot. Bonds5

About N-[3-(ethylaminomethyl)phenyl]-2-hydroxy-5-iodobenzamide

N-[3-(ethylaminomethyl)phenyl]-2-hydroxy-5-iodobenzamide (PubChem CID 107732035) has the molecular formula C16H17IN2O2 and a molecular weight of 396.23 g/mol. Its IUPAC name is N-[3-(ethylaminomethyl)phenyl]-2-hydroxy-5-iodobenzamide.

Molecular Properties

Compound NameN-[3-(ethylaminomethyl)phenyl]-2-hydroxy-5-iodobenzamide
PubChem CID107732035
Molecular FormulaC16H17IN2O2
Molecular Weight396.23 g/mol
Exact Mass396.03
IUPAC NameN-[3-(ethylaminomethyl)phenyl]-2-hydroxy-5-iodobenzamide
SMILESCCNCc1cccc(NC(=O)c2cc(I)ccc2O)c1
InChIInChI=1S/C16H17IN2O2/c1-2-18-10-11-4-3-5-13(8-11)19-16(21)14-9-12(17)6-7-15(14)20/h3-9,18,20H,2,10H2,1H3,(H,19,21)
InChIKeyZHSLBEXHIQSPRG-UHFFFAOYSA-N
XLogP3.36
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.23
LogP ≤ 53.36
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-[3-(methylaminomethyl)phenyl]benzamide
CID 107732038
N-[3-(ethylaminomethyl)phenyl]-3-hydroxy-2-methylbenzamide
CID 82808670
N-(3-chlorophenyl)-2-hydroxy-5-iodobenzamide
CID 103602012
5-fluoro-2-hydroxy-N-[3-(methylaminomethyl)phenyl]benzamide
CID 115299348
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
N-[3-(ethylaminomethyl)phenyl]-3-hydroxypyridine-2-carboxamide
CID 60924164
2,5-dibromo-N-[3-(ethylaminomethyl)phenyl]benzamide
CID 114374231
2-bromo-N-[3-(ethylaminomethyl)phenyl]-3-methylbenzamide
CID 107983060
N-[3-(ethylaminomethyl)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119438297
1-ethyl-N-[3-(ethylaminomethyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119438335
2-hydroxy-5-iodo-N-naphthalen-2-ylbenzamide
CID 103602016
2-hydroxy-5-iodo-N-(2-propylphenyl)benzamide
CID 107731680

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylaminomethyl)phenyl]-2-hydroxy-5-iodobenzamide?
The IUPAC name of N-[3-(ethylaminomethyl)phenyl]-2-hydroxy-5-iodobenzamide (CID 107732035) is N-[3-(ethylaminomethyl)phenyl]-2-hydroxy-5-iodobenzamide.
What is the SMILES notation for N-[3-(ethylaminomethyl)phenyl]-2-hydroxy-5-iodobenzamide?
The canonical SMILES for N-[3-(ethylaminomethyl)phenyl]-2-hydroxy-5-iodobenzamide is CCNCc1cccc(NC(=O)c2cc(I)ccc2O)c1.
What is the InChIKey of N-[3-(ethylaminomethyl)phenyl]-2-hydroxy-5-iodobenzamide?
The InChIKey is ZHSLBEXHIQSPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O2/c1-2-18-10-11-4-3-5-13(8-11)19-16(21)14-9-12(17)6-7-15(14)20/h3-9,18,20H,2,10H2,1H3,(H,19,21).
What are the key properties of N-[3-(ethylaminomethyl)phenyl]-2-hydroxy-5-iodobenzamide?
N-[3-(ethylaminomethyl)phenyl]-2-hydroxy-5-iodobenzamide has a molecular weight of 396.23 g/mol, XLogP of 3.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylaminomethyl)phenyl]-2-hydroxy-5-iodobenzamide is sourced from PubChem (CID 107732035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).