N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-3-iodobenzamide

C11H14IN3O2 — CID 76929197

IUPACN-(2-amino-2-hydroxyiminoethyl)-N-ethyl-3-iodobenzamide
SMILESCCN(CC(N)=NO)C(=O)c1cccc(I)c1
InChIInChI=1S/C11H14IN3O2/c1-2-15(7-10(13)14-17)11(16)8-4-3-5-9(12)6-8/h3-6,17H,2,7H2,1H3,(H2,13,14)
InChIKeyJEAGVWKPRZFSTQ-UHFFFAOYSA-N
MW347.16 g/mol
LogP1.50
Rot. Bonds4

About N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-3-iodobenzamide

N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-3-iodobenzamide (PubChem CID 76929197) has the molecular formula C11H14IN3O2 and a molecular weight of 347.16 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-3-iodobenzamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N-ethyl-3-iodobenzamide
PubChem CID76929197
Molecular FormulaC11H14IN3O2
Molecular Weight347.16 g/mol
Exact Mass347.01
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N-ethyl-3-iodobenzamide
SMILESCCN(CC(N)=NO)C(=O)c1cccc(I)c1
InChIInChI=1S/C11H14IN3O2/c1-2-15(7-10(13)14-17)11(16)8-4-3-5-9(12)6-8/h3-6,17H,2,7H2,1H3,(H2,13,14)
InChIKeyJEAGVWKPRZFSTQ-UHFFFAOYSA-N
XLogP1.50
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.16
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-hydroxyiminoethyl)-N-ethylnaphthalene-2-carboxamide
CID 76929403
N-(3-amino-3-hydroxyiminopropyl)-3-iodo-N-(2-methylpropyl)benzamide
CID 76917368
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-iodothiophene-3-carboxamide
CID 79683911
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-2,3-dimethylbenzamide
CID 76928775
N-(2-amino-2-hydroxyiminoethyl)-N-ethylquinoline-6-carboxamide
CID 76951107
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-1,3-benzodioxole-5-carboxamide
CID 76929458
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-ethyl-4-fluoro-3-methoxybenzamide
CID 81284884
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-6-methylpyridine-3-carboxamide
CID 76929152
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-methylpyridine-3-carboxamide
CID 77072803
N-(3-amino-3-hydroxyiminopropyl)-3-iodobenzamide
CID 76952651
N-ethyl-3-[(Z)-N'-hydroxycarbamimidoyl]-N-propylbenzamide
CID 43269064
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-4-iodobenzamide
CID 54993141

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-3-iodobenzamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-3-iodobenzamide (CID 76929197) is N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-3-iodobenzamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-3-iodobenzamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-3-iodobenzamide is CCN(CC(N)=NO)C(=O)c1cccc(I)c1.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-3-iodobenzamide?
The InChIKey is JEAGVWKPRZFSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN3O2/c1-2-15(7-10(13)14-17)11(16)8-4-3-5-9(12)6-8/h3-6,17H,2,7H2,1H3,(H2,13,14).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-3-iodobenzamide?
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-3-iodobenzamide has a molecular weight of 347.16 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-3-iodobenzamide is sourced from PubChem (CID 76929197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).