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

C17H15IN2O4 — CID 2509496

IUPAC[2-(benzylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate
SMILESO=C(COC(=O)c1ccccc1I)NC(=O)NCc1ccccc1
InChIInChI=1S/C17H15IN2O4/c18-14-9-5-4-8-13(14)16(22)24-11-15(21)20-17(23)19-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,19,20,21,23)
InChIKeyWKIZYZHKFWAOEN-UHFFFAOYSA-N
MW438.22 g/mol
LogP2.47
Rot. Bonds5

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

[2-(benzylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate (PubChem CID 2509496) has the molecular formula C17H15IN2O4 and a molecular weight of 438.22 g/mol. Its IUPAC name is [2-(benzylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate.

Molecular Properties

Compound Name[2-(benzylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate
PubChem CID2509496
Molecular FormulaC17H15IN2O4
Molecular Weight438.22 g/mol
Exact Mass438.01
IUPAC Name[2-(benzylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate
SMILESO=C(COC(=O)c1ccccc1I)NC(=O)NCc1ccccc1
InChIInChI=1S/C17H15IN2O4/c18-14-9-5-4-8-13(14)16(22)24-11-15(21)20-17(23)19-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,19,20,21,23)
InChIKeyWKIZYZHKFWAOEN-UHFFFAOYSA-N
XLogP2.47
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.22
LogP ≤ 52.47
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-O-[2-(benzylcarbamoylamino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56506533
[2-(methylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate
CID 2509553
[2-(benzylcarbamoylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 2092965
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 7399330
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-methyl-3-nitrobenzoate
CID 2564276
[2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2122372
[2-(benzylcarbamoylamino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
CID 2485082
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-ethoxyacetate
CID 2563950
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-iodobenzoate
CID 2509396
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate
CID 16513087
(2-amino-2-oxoethyl) 2-iodobenzoate
CID 2509670
[2-(benzylcarbamoylamino)-2-oxoethyl] 4-(difluoromethylsulfonyl)benzoate
CID 2499383

Frequently Asked Questions

What is the IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate?
The IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate (CID 2509496) is [2-(benzylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate.
What is the SMILES notation for [2-(benzylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate?
The canonical SMILES for [2-(benzylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate is O=C(COC(=O)c1ccccc1I)NC(=O)NCc1ccccc1.
What is the InChIKey of [2-(benzylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate?
The InChIKey is WKIZYZHKFWAOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IN2O4/c18-14-9-5-4-8-13(14)16(22)24-11-15(21)20-17(23)19-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,19,20,21,23).
What are the key properties of [2-(benzylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate?
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate has a molecular weight of 438.22 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate is sourced from PubChem (CID 2509496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).