N-[2-(3-aminophenoxy)ethyl]-2-hydroxy-5-iodobenzamide

C15H15IN2O3 — CID 107731148

IUPACN-[2-(3-aminophenoxy)ethyl]-2-hydroxy-5-iodobenzamide
SMILESNc1cccc(OCCNC(=O)c2cc(I)ccc2O)c1
InChIInChI=1S/C15H15IN2O3/c16-10-4-5-14(19)13(8-10)15(20)18-6-7-21-12-3-1-2-11(17)9-12/h1-5,8-9,19H,6-7,17H2,(H,18,20)
InChIKeyVGCGFFDGXTXGMW-UHFFFAOYSA-N
MW398.20 g/mol
LogP2.39
Rot. Bonds5

About N-[2-(3-aminophenoxy)ethyl]-2-hydroxy-5-iodobenzamide

N-[2-(3-aminophenoxy)ethyl]-2-hydroxy-5-iodobenzamide (PubChem CID 107731148) has the molecular formula C15H15IN2O3 and a molecular weight of 398.20 g/mol. Its IUPAC name is N-[2-(3-aminophenoxy)ethyl]-2-hydroxy-5-iodobenzamide.

Molecular Properties

Compound NameN-[2-(3-aminophenoxy)ethyl]-2-hydroxy-5-iodobenzamide
PubChem CID107731148
Molecular FormulaC15H15IN2O3
Molecular Weight398.20 g/mol
Exact Mass398.01
IUPAC NameN-[2-(3-aminophenoxy)ethyl]-2-hydroxy-5-iodobenzamide
SMILESNc1cccc(OCCNC(=O)c2cc(I)ccc2O)c1
InChIInChI=1S/C15H15IN2O3/c16-10-4-5-14(19)13(8-10)15(20)18-6-7-21-12-3-1-2-11(17)9-12/h1-5,8-9,19H,6-7,17H2,(H,18,20)
InChIKeyVGCGFFDGXTXGMW-UHFFFAOYSA-N
XLogP2.39
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.20
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-aminophenoxy)ethyl]-4-hydroxybenzamide
CID 61031492
N-[2-(3-aminophenoxy)ethyl]-3,5-dihydroxybenzamide
CID 107702195
N-[2-(3-aminophenoxy)ethyl]-5-bromo-2-fluorobenzamide
CID 61030857
N-[2-(3-aminophenoxy)ethyl]-2-bromo-4-fluorobenzamide
CID 61032515
2-bromo-5-iodo-N-(2-phenoxyethyl)benzamide
CID 103988921
N-[2-(3-aminophenoxy)ethyl]-2-phenylacetamide
CID 39369561
5-fluoro-2-hydroxy-N-(2-phenoxyethyl)benzamide
CID 79532175
N-[2-(3-aminophenoxy)ethyl]-2-chloro-5-nitrobenzamide
CID 139950400
N-[2-(4-aminophenoxy)ethyl]-2,3-dihydroxybenzamide
CID 114343182
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-5-iodobenzamide
CID 107731132
N-[2-(3-aminophenoxy)ethyl]-5-bromothiophene-2-carboxamide
CID 54915199
N-[2-(3-aminophenoxy)ethyl]cyclopropanecarboxamide
CID 39244343

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminophenoxy)ethyl]-2-hydroxy-5-iodobenzamide?
The IUPAC name of N-[2-(3-aminophenoxy)ethyl]-2-hydroxy-5-iodobenzamide (CID 107731148) is N-[2-(3-aminophenoxy)ethyl]-2-hydroxy-5-iodobenzamide.
What is the SMILES notation for N-[2-(3-aminophenoxy)ethyl]-2-hydroxy-5-iodobenzamide?
The canonical SMILES for N-[2-(3-aminophenoxy)ethyl]-2-hydroxy-5-iodobenzamide is Nc1cccc(OCCNC(=O)c2cc(I)ccc2O)c1.
What is the InChIKey of N-[2-(3-aminophenoxy)ethyl]-2-hydroxy-5-iodobenzamide?
The InChIKey is VGCGFFDGXTXGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O3/c16-10-4-5-14(19)13(8-10)15(20)18-6-7-21-12-3-1-2-11(17)9-12/h1-5,8-9,19H,6-7,17H2,(H,18,20).
What are the key properties of N-[2-(3-aminophenoxy)ethyl]-2-hydroxy-5-iodobenzamide?
N-[2-(3-aminophenoxy)ethyl]-2-hydroxy-5-iodobenzamide has a molecular weight of 398.20 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminophenoxy)ethyl]-2-hydroxy-5-iodobenzamide is sourced from PubChem (CID 107731148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).