N-ethyl-N-(5-hydroxy-2-methylphenyl)-4-iodobenzamide

C16H16INO2 — CID 28978793

IUPACN-ethyl-N-(5-hydroxy-2-methylphenyl)-4-iodobenzamide
SMILESCCN(C(=O)c1ccc(I)cc1)c1cc(O)ccc1C
InChIInChI=1S/C16H16INO2/c1-3-18(15-10-14(19)9-4-11(15)2)16(20)12-5-7-13(17)8-6-12/h4-10,19H,3H2,1-2H3
InChIKeyGXAWOAIVKMRIRQ-UHFFFAOYSA-N
MW381.21 g/mol
LogP3.97
Rot. Bonds3

About N-ethyl-N-(5-hydroxy-2-methylphenyl)-4-iodobenzamide

N-ethyl-N-(5-hydroxy-2-methylphenyl)-4-iodobenzamide (PubChem CID 28978793) has the molecular formula C16H16INO2 and a molecular weight of 381.21 g/mol. Its IUPAC name is N-ethyl-N-(5-hydroxy-2-methylphenyl)-4-iodobenzamide.

Molecular Properties

Compound NameN-ethyl-N-(5-hydroxy-2-methylphenyl)-4-iodobenzamide
PubChem CID28978793
Molecular FormulaC16H16INO2
Molecular Weight381.21 g/mol
Exact Mass381.02
IUPAC NameN-ethyl-N-(5-hydroxy-2-methylphenyl)-4-iodobenzamide
SMILESCCN(C(=O)c1ccc(I)cc1)c1cc(O)ccc1C
InChIInChI=1S/C16H16INO2/c1-3-18(15-10-14(19)9-4-11(15)2)16(20)12-5-7-13(17)8-6-12/h4-10,19H,3H2,1-2H3
InChIKeyGXAWOAIVKMRIRQ-UHFFFAOYSA-N
XLogP3.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.21
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide
CID 107733330
3-chloro-N-ethyl-4-hydroxy-N-(5-hydroxy-2-methylphenyl)benzamide
CID 29273643
N-ethyl-N-(5-hydroxy-2-methylphenyl)pyrimidine-5-carboxamide
CID 102922038
6-chloro-N-ethyl-N-(5-hydroxy-2-methylphenyl)pyridine-3-carboxamide
CID 107856541
2-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-5-methylbenzamide
CID 107733112
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-methylfuran-3-carboxamide
CID 28740049
N-ethyl-N-(5-hydroxy-2-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 28780674
2-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide
CID 28739954
2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]acetic acid
CID 107737112
5-chloro-N-ethyl-2-fluoro-N-(5-hydroxy-2-methylphenyl)benzamide
CID 28516961
2-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-3,3-dimethylbutanamide
CID 107734495
N-ethyl-N-(5-hydroxy-2-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 104772781

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(5-hydroxy-2-methylphenyl)-4-iodobenzamide?
The IUPAC name of N-ethyl-N-(5-hydroxy-2-methylphenyl)-4-iodobenzamide (CID 28978793) is N-ethyl-N-(5-hydroxy-2-methylphenyl)-4-iodobenzamide.
What is the SMILES notation for N-ethyl-N-(5-hydroxy-2-methylphenyl)-4-iodobenzamide?
The canonical SMILES for N-ethyl-N-(5-hydroxy-2-methylphenyl)-4-iodobenzamide is CCN(C(=O)c1ccc(I)cc1)c1cc(O)ccc1C.
What is the InChIKey of N-ethyl-N-(5-hydroxy-2-methylphenyl)-4-iodobenzamide?
The InChIKey is GXAWOAIVKMRIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO2/c1-3-18(15-10-14(19)9-4-11(15)2)16(20)12-5-7-13(17)8-6-12/h4-10,19H,3H2,1-2H3.
What are the key properties of N-ethyl-N-(5-hydroxy-2-methylphenyl)-4-iodobenzamide?
N-ethyl-N-(5-hydroxy-2-methylphenyl)-4-iodobenzamide has a molecular weight of 381.21 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(5-hydroxy-2-methylphenyl)-4-iodobenzamide is sourced from PubChem (CID 28978793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).