N-(2-amino-2-oxoethyl)-3-(125I)iodo(125I)benzamide

C9H9IN2O2 — CID 89417127

IUPACN-(2-amino-2-oxoethyl)-3-(125I)iodo(125I)benzamide
SMILESNC(=O)CNC(=O)c1cccc([125I])c1
InChIInChI=1S/C9H9IN2O2/c10-7-3-1-2-6(4-7)9(14)12-5-8(11)13/h1-4H,5H2,(H2,11,13)(H,12,14)/i10-2
InChIKeyPOUAVMDZTXOBDG-CKWBHOIGSA-N
MW302.09 g/mol
LogP0.51
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-3-(125I)iodo(125I)benzamide

N-(2-amino-2-oxoethyl)-3-(125I)iodo(125I)benzamide (PubChem CID 89417127) has the molecular formula C9H9IN2O2 and a molecular weight of 302.09 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-(125I)iodo(125I)benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-(125I)iodo(125I)benzamide
PubChem CID89417127
Molecular FormulaC9H9IN2O2
Molecular Weight302.09 g/mol
Exact Mass301.97
IUPAC NameN-(2-amino-2-oxoethyl)-3-(125I)iodo(125I)benzamide
SMILESNC(=O)CNC(=O)c1cccc([125I])c1
InChIInChI=1S/C9H9IN2O2/c10-7-3-1-2-6(4-7)9(14)12-5-8(11)13/h1-4H,5H2,(H2,11,13)(H,12,14)/i10-2
InChIKeyPOUAVMDZTXOBDG-CKWBHOIGSA-N
XLogP0.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.09
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-amino-2-oxoethyl)benzamide
CID 16775093
3-acetamido-N-(2-amino-2-oxoethyl)benzamide
CID 47116875
N-(2-amino-2-oxoethyl)-3-(aminosulfanylmethylamino)benzamide
CID 140989186
N-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide
CID 43400555
N-(2-amino-2-oxoethyl)-3-(benzylcarbamoylamino)benzamide
CID 141029979
3-(125I)iodo-N-propan-2-yl(125I)benzamide
CID 177469648
N-(2-amino-2-oxoethyl)-4-iodobenzamide
CID 60668486
N-(2-amino-2-oxoethyl)-1-(2-oxopropyl)pyridin-1-ium-3-carboxamide
CID 59223376
N-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9295424
3-[(1-aminocyclohexanecarbonyl)amino]-N-(2-amino-2-oxoethyl)benzamide
CID 119284430
3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride
CID 119714323
N-(2-amino-2-oxoethyl)-3-[[(1R,3S)-3-cyclopropylcyclohexyl]amino]benzamide
CID 97157129

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-(125I)iodo(125I)benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-(125I)iodo(125I)benzamide (CID 89417127) is N-(2-amino-2-oxoethyl)-3-(125I)iodo(125I)benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-(125I)iodo(125I)benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-(125I)iodo(125I)benzamide is NC(=O)CNC(=O)c1cccc([125I])c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-(125I)iodo(125I)benzamide?
The InChIKey is POUAVMDZTXOBDG-CKWBHOIGSA-N. The full InChI is InChI=1S/C9H9IN2O2/c10-7-3-1-2-6(4-7)9(14)12-5-8(11)13/h1-4H,5H2,(H2,11,13)(H,12,14)/i10-2.
What are the key properties of N-(2-amino-2-oxoethyl)-3-(125I)iodo(125I)benzamide?
N-(2-amino-2-oxoethyl)-3-(125I)iodo(125I)benzamide has a molecular weight of 302.09 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-(125I)iodo(125I)benzamide is sourced from PubChem (CID 89417127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).