[2-(methylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate

C11H11IN2O4 — CID 2509553

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate
SMILESCNC(=O)NC(=O)COC(=O)c1ccccc1I
InChIInChI=1S/C11H11IN2O4/c1-13-11(17)14-9(15)6-18-10(16)7-4-2-3-5-8(7)12/h2-5H,6H2,1H3,(H2,13,14,15,17)
InChIKeyAHIRFGLKPBBWRD-UHFFFAOYSA-N
MW362.12 g/mol
LogP0.90
Rot. Bonds3

About [2-(methylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate

[2-(methylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate (PubChem CID 2509553) has the molecular formula C11H11IN2O4 and a molecular weight of 362.12 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate
PubChem CID2509553
Molecular FormulaC11H11IN2O4
Molecular Weight362.12 g/mol
Exact Mass361.98
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate
SMILESCNC(=O)NC(=O)COC(=O)c1ccccc1I
InChIInChI=1S/C11H11IN2O4/c1-13-11(17)14-9(15)6-18-10(16)7-4-2-3-5-8(7)12/h2-5H,6H2,1H3,(H2,13,14,15,17)
InChIKeyAHIRFGLKPBBWRD-UHFFFAOYSA-N
XLogP0.90
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.12
LogP ≤ 50.90
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-(benzylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate
CID 2509496
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 2503502
[2-(methylcarbamoylamino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 7724769
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-iodobenzoate
CID 2509396
[2-(methylcarbamoylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 4833186
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)benzoate
CID 55537612
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-iodobenzoate
CID 2509700
(2-amino-2-oxoethyl) 2-iodobenzoate
CID 2509670
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-iodobenzoate
CID 2509775
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-iodobenzoate
CID 5149355
[2-(methylcarbamoylamino)-2-oxoethyl] naphthalene-2-carboxylate
CID 2507436
[2-(methylcarbamoylamino)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 2504725

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate (CID 2509553) is [2-(methylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate is CNC(=O)NC(=O)COC(=O)c1ccccc1I.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate?
The InChIKey is AHIRFGLKPBBWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN2O4/c1-13-11(17)14-9(15)6-18-10(16)7-4-2-3-5-8(7)12/h2-5H,6H2,1H3,(H2,13,14,15,17).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate?
[2-(methylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate has a molecular weight of 362.12 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate is sourced from PubChem (CID 2509553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).