(2-benzamido-2-oxoethyl) 2-[(2-iodobenzoyl)amino]acetate

C18H15IN2O5 — CID 55307473

IUPAC(2-benzamido-2-oxoethyl) 2-[(2-iodobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccccc1I)NC(=O)c1ccccc1
InChIInChI=1S/C18H15IN2O5/c19-14-9-5-4-8-13(14)18(25)20-10-16(23)26-11-15(22)21-17(24)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,25)(H,21,22,24)
InChIKeyXDRIXIWFXQKSGA-UHFFFAOYSA-N
MW466.23 g/mol
LogP1.52
Rot. Bonds6

About (2-benzamido-2-oxoethyl) 2-[(2-iodobenzoyl)amino]acetate

(2-benzamido-2-oxoethyl) 2-[(2-iodobenzoyl)amino]acetate (PubChem CID 55307473) has the molecular formula C18H15IN2O5 and a molecular weight of 466.23 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 2-[(2-iodobenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 2-[(2-iodobenzoyl)amino]acetate
PubChem CID55307473
Molecular FormulaC18H15IN2O5
Molecular Weight466.23 g/mol
Exact Mass466.00
IUPAC Name(2-benzamido-2-oxoethyl) 2-[(2-iodobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccccc1I)NC(=O)c1ccccc1
InChIInChI=1S/C18H15IN2O5/c19-14-9-5-4-8-13(14)18(25)20-10-16(23)26-11-15(22)21-17(24)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,25)(H,21,22,24)
InChIKeyXDRIXIWFXQKSGA-UHFFFAOYSA-N
XLogP1.52
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.23
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate
CID 55307465
(2-benzamido-2-oxoethyl) 2-(furan-2-carbonylamino)acetate
CID 7879888
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate
CID 55307446
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-benzamidoacetate
CID 7889613
[2-(3-ethylanilino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate
CID 55307635
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate
CID 29179948
(2-methoxy-2-oxoethyl) 2-benzamidoacetate
CID 24647854
(4-bromophenyl)methyl 2-[(2-iodobenzoyl)amino]acetate
CID 55307422
[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate
CID 5168894
(2-benzamido-2-oxoethyl) 2-chlorobenzoate
CID 2624247
phenacyl 2-[(2-fluorobenzoyl)amino]acetate
CID 2357812
[2-(trifluoromethyl)phenyl]methyl 2-[(2-iodobenzoyl)amino]acetate
CID 55307467

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 2-[(2-iodobenzoyl)amino]acetate?
The IUPAC name of (2-benzamido-2-oxoethyl) 2-[(2-iodobenzoyl)amino]acetate (CID 55307473) is (2-benzamido-2-oxoethyl) 2-[(2-iodobenzoyl)amino]acetate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 2-[(2-iodobenzoyl)amino]acetate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 2-[(2-iodobenzoyl)amino]acetate is O=C(COC(=O)CNC(=O)c1ccccc1I)NC(=O)c1ccccc1.
What is the InChIKey of (2-benzamido-2-oxoethyl) 2-[(2-iodobenzoyl)amino]acetate?
The InChIKey is XDRIXIWFXQKSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15IN2O5/c19-14-9-5-4-8-13(14)18(25)20-10-16(23)26-11-15(22)21-17(24)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,25)(H,21,22,24).
What are the key properties of (2-benzamido-2-oxoethyl) 2-[(2-iodobenzoyl)amino]acetate?
(2-benzamido-2-oxoethyl) 2-[(2-iodobenzoyl)amino]acetate has a molecular weight of 466.23 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 2-[(2-iodobenzoyl)amino]acetate is sourced from PubChem (CID 55307473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).