N-(2-amino-2-oxoethoxy)-2-iodobenzamide

C9H9IN2O3 — CID 112550849

IUPACN-(2-amino-2-oxoethoxy)-2-iodobenzamide
SMILESNC(=O)CONC(=O)c1ccccc1I
InChIInChI=1S/C9H9IN2O3/c10-7-4-2-1-3-6(7)9(14)12-15-5-8(11)13/h1-4H,5H2,(H2,11,13)(H,12,14)
InChIKeyMYCHSEZBALQZOB-UHFFFAOYSA-N
MW320.09 g/mol
LogP0.44
Rot. Bonds4

About N-(2-amino-2-oxoethoxy)-2-iodobenzamide

N-(2-amino-2-oxoethoxy)-2-iodobenzamide (PubChem CID 112550849) has the molecular formula C9H9IN2O3 and a molecular weight of 320.09 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-2-iodobenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-2-iodobenzamide
PubChem CID112550849
Molecular FormulaC9H9IN2O3
Molecular Weight320.09 g/mol
Exact Mass319.97
IUPAC NameN-(2-amino-2-oxoethoxy)-2-iodobenzamide
SMILESNC(=O)CONC(=O)c1ccccc1I
InChIInChI=1S/C9H9IN2O3/c10-7-4-2-1-3-6(7)9(14)12-15-5-8(11)13/h1-4H,5H2,(H2,11,13)(H,12,14)
InChIKeyMYCHSEZBALQZOB-UHFFFAOYSA-N
XLogP0.44
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.09
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-2-oxoethyl) 2-iodobenzoate
CID 2509670
2-iodobenzamide
CID 160670857
N-(2-amino-2-oxoethoxy)quinoline-5-carboxamide
CID 112550935
N-[4-(carbamoylamino)phenyl]-2-iodobenzamide
CID 33152104
N-(2-amino-2-oxoethoxy)-5-chloro-2-fluorobenzamide
CID 112551004
2-amino-N-(2-amino-2-oxoethoxy)-5-bromobenzamide
CID 112674277
N-(2-amino-2-oxoethoxy)quinoline-2-carboxamide
CID 112550703
(2-benzamido-2-oxoethyl) 2-[(2-iodobenzoyl)amino]acetate
CID 55307473
2-[4-[(2-iodobenzoyl)amino]phenoxy]acetate
CID 7324626
N-(2-amino-2-oxoethoxy)-5-fluoro-2-methylbenzamide
CID 112550764
methyl N-[2-[(2-iodobenzoyl)amino]ethyl]carbamate
CID 108571243
N-[2-(aminomethyl)phenyl]-2-iodobenzamide
CID 64882136

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-2-iodobenzamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-2-iodobenzamide (CID 112550849) is N-(2-amino-2-oxoethoxy)-2-iodobenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-2-iodobenzamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-2-iodobenzamide is NC(=O)CONC(=O)c1ccccc1I.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-2-iodobenzamide?
The InChIKey is MYCHSEZBALQZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IN2O3/c10-7-4-2-1-3-6(7)9(14)12-15-5-8(11)13/h1-4H,5H2,(H2,11,13)(H,12,14).
What are the key properties of N-(2-amino-2-oxoethoxy)-2-iodobenzamide?
N-(2-amino-2-oxoethoxy)-2-iodobenzamide has a molecular weight of 320.09 g/mol, XLogP of 0.44, 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-oxoethoxy)-2-iodobenzamide is sourced from PubChem (CID 112550849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).