[2-(carbamoylamino)-2-oxoethyl] 4-iodobenzoate

C10H9IN2O4 — CID 2469650

IUPAC[2-(carbamoylamino)-2-oxoethyl] 4-iodobenzoate
SMILESNC(=O)NC(=O)COC(=O)c1ccc(I)cc1
InChIInChI=1S/C10H9IN2O4/c11-7-3-1-6(2-4-7)9(15)17-5-8(14)13-10(12)16/h1-4H,5H2,(H3,12,13,14,16)
InChIKeyFBEDSAMHEPJLEE-UHFFFAOYSA-N
MW348.10 g/mol
LogP0.64
Rot. Bonds3

About [2-(carbamoylamino)-2-oxoethyl] 4-iodobenzoate

[2-(carbamoylamino)-2-oxoethyl] 4-iodobenzoate (PubChem CID 2469650) has the molecular formula C10H9IN2O4 and a molecular weight of 348.10 g/mol. Its IUPAC name is [2-(carbamoylamino)-2-oxoethyl] 4-iodobenzoate.

Molecular Properties

Compound Name[2-(carbamoylamino)-2-oxoethyl] 4-iodobenzoate
PubChem CID2469650
Molecular FormulaC10H9IN2O4
Molecular Weight348.10 g/mol
Exact Mass347.96
IUPAC Name[2-(carbamoylamino)-2-oxoethyl] 4-iodobenzoate
SMILESNC(=O)NC(=O)COC(=O)c1ccc(I)cc1
InChIInChI=1S/C10H9IN2O4/c11-7-3-1-6(2-4-7)9(15)17-5-8(14)13-10(12)16/h1-4H,5H2,(H3,12,13,14,16)
InChIKeyFBEDSAMHEPJLEE-UHFFFAOYSA-N
XLogP0.64
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.10
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(carbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2627221
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 4-iodobenzoate
CID 26734941
[2-(carbamoylamino)-2-oxoethyl] 4-ethoxybenzoate
CID 2521893
(2-anilino-2-oxoethyl) 4-iodobenzoate
CID 2505448
[2-(4-acetamidoanilino)-2-oxoethyl] 4-iodobenzoate
CID 2505523
[2-(carbamoylamino)-2-oxoethyl] 3-amino-4-fluorobenzoate
CID 61322622
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-iodobenzoate
CID 2642847
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-iodobenzoate
CID 3513023
[2-(4-iodoanilino)-2-oxoethyl] 4-cyanobenzoate
CID 2592615
[2-(carbamoylamino)-2-oxoethyl] 3-amino-4-(dimethylamino)benzoate
CID 61322567
silylmethyl 4-iodobenzoate
CID 157209971
[2-(carbamoylamino)-2-oxoethyl] 3-amino-4-ethoxybenzoate
CID 61322799

Frequently Asked Questions

What is the IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 4-iodobenzoate?
The IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 4-iodobenzoate (CID 2469650) is [2-(carbamoylamino)-2-oxoethyl] 4-iodobenzoate.
What is the SMILES notation for [2-(carbamoylamino)-2-oxoethyl] 4-iodobenzoate?
The canonical SMILES for [2-(carbamoylamino)-2-oxoethyl] 4-iodobenzoate is NC(=O)NC(=O)COC(=O)c1ccc(I)cc1.
What is the InChIKey of [2-(carbamoylamino)-2-oxoethyl] 4-iodobenzoate?
The InChIKey is FBEDSAMHEPJLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2O4/c11-7-3-1-6(2-4-7)9(15)17-5-8(14)13-10(12)16/h1-4H,5H2,(H3,12,13,14,16).
What are the key properties of [2-(carbamoylamino)-2-oxoethyl] 4-iodobenzoate?
[2-(carbamoylamino)-2-oxoethyl] 4-iodobenzoate has a molecular weight of 348.10 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoylamino)-2-oxoethyl] 4-iodobenzoate is sourced from PubChem (CID 2469650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).