N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-5-iodobenzamide

C14H13IN2O3 — CID 107731132

IUPACN-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-5-iodobenzamide
SMILESNc1ccc(O)c(CNC(=O)c2cc(I)ccc2O)c1
InChIInChI=1S/C14H13IN2O3/c15-9-1-3-13(19)11(6-9)14(20)17-7-8-5-10(16)2-4-12(8)18/h1-6,18-19H,7,16H2,(H,17,20)
InChIKeyBHUKJGXUWWWYID-UHFFFAOYSA-N
MW384.17 g/mol
LogP2.21
Rot. Bonds3

About N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-5-iodobenzamide

N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-5-iodobenzamide (PubChem CID 107731132) has the molecular formula C14H13IN2O3 and a molecular weight of 384.17 g/mol. Its IUPAC name is N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-5-iodobenzamide.

Molecular Properties

Compound NameN-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-5-iodobenzamide
PubChem CID107731132
Molecular FormulaC14H13IN2O3
Molecular Weight384.17 g/mol
Exact Mass384.00
IUPAC NameN-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-5-iodobenzamide
SMILESNc1ccc(O)c(CNC(=O)c2cc(I)ccc2O)c1
InChIInChI=1S/C14H13IN2O3/c15-9-1-3-13(19)11(6-9)14(20)17-7-8-5-10(16)2-4-12(8)18/h1-6,18-19H,7,16H2,(H,17,20)
InChIKeyBHUKJGXUWWWYID-UHFFFAOYSA-N
XLogP2.21
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.17
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxybenzamide
CID 43548729
N-[(5-amino-2-hydroxyphenyl)methyl]-3-hydroxy-2-methylbenzamide
CID 82827346
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 43548627
N-[(5-amino-2-hydroxyphenyl)methyl]-2-bromofuran-3-carboxamide
CID 106850782
N-[(5-amino-2-hydroxyphenyl)methyl]-2-fluoro-5-methylbenzamide
CID 62514243
N-[(5-amino-2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 43548732
N-[(5-amino-2-hydroxyphenyl)methyl]-4-bromobenzamide
CID 43548733
N-[(4-fluorophenyl)methyl]-2-hydroxy-5-iodobenzamide
CID 27256756
N-[(5-amino-2-hydroxyphenyl)methyl]propanamide
CID 43548596
2-hydroxy-5-iodo-N-(thiophen-3-ylmethyl)benzamide
CID 113222923
2-hydroxy-5-iodo-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106385091
N-[(5-amino-2-hydroxyphenyl)methyl]-5-chloro-2-methoxybenzamide
CID 43548657

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-5-iodobenzamide?
The IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-5-iodobenzamide (CID 107731132) is N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-5-iodobenzamide.
What is the SMILES notation for N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-5-iodobenzamide?
The canonical SMILES for N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-5-iodobenzamide is Nc1ccc(O)c(CNC(=O)c2cc(I)ccc2O)c1.
What is the InChIKey of N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-5-iodobenzamide?
The InChIKey is BHUKJGXUWWWYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2O3/c15-9-1-3-13(19)11(6-9)14(20)17-7-8-5-10(16)2-4-12(8)18/h1-6,18-19H,7,16H2,(H,17,20).
What are the key properties of N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-5-iodobenzamide?
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-5-iodobenzamide has a molecular weight of 384.17 g/mol, XLogP of 2.21, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-5-iodobenzamide is sourced from PubChem (CID 107731132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).