[2-(3-ethylanilino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate

C19H19IN2O4 — CID 55307635

IUPAC[2-(3-ethylanilino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate
SMILESCCc1cccc(NC(=O)COC(=O)CNC(=O)c2ccccc2I)c1
InChIInChI=1S/C19H19IN2O4/c1-2-13-6-5-7-14(10-13)22-17(23)12-26-18(24)11-21-19(25)15-8-3-4-9-16(15)20/h3-10H,2,11-12H2,1H3,(H,21,25)(H,22,23)
InChIKeyNFNZKRLGOMSXHG-UHFFFAOYSA-N
MW466.28 g/mol
LogP2.77
Rot. Bonds7

About [2-(3-ethylanilino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate

[2-(3-ethylanilino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate (PubChem CID 55307635) has the molecular formula C19H19IN2O4 and a molecular weight of 466.28 g/mol. Its IUPAC name is [2-(3-ethylanilino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(3-ethylanilino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate
PubChem CID55307635
Molecular FormulaC19H19IN2O4
Molecular Weight466.28 g/mol
Exact Mass466.04
IUPAC Name[2-(3-ethylanilino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate
SMILESCCc1cccc(NC(=O)COC(=O)CNC(=O)c2ccccc2I)c1
InChIInChI=1S/C19H19IN2O4/c1-2-13-6-5-7-14(10-13)22-17(23)12-26-18(24)11-21-19(25)15-8-3-4-9-16(15)20/h3-10H,2,11-12H2,1H3,(H,21,25)(H,22,23)
InChIKeyNFNZKRLGOMSXHG-UHFFFAOYSA-N
XLogP2.77
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.28
LogP ≤ 52.77
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-(3-ethylanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8573254
methyl 2-[[3-[[2-[(2-iodobenzoyl)amino]acetyl]amino]benzoyl]amino]acetate
CID 55848356
[2-(3-acetamidoanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807711
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate
CID 55307446
[2-(3-chloroanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2548139
[2-(3-ethylanilino)-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate
CID 7805318
[2-(4-ethylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8524003
(2-benzamido-2-oxoethyl) 2-[(2-iodobenzoyl)amino]acetate
CID 55307473
[2-(3-ethylanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 7764296
[2-(3-ethylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 8606058
[2-(3-chloroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 2602170
[2-(3-ethylanilino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734350

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate?
The IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate (CID 55307635) is [2-(3-ethylanilino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate.
What is the SMILES notation for [2-(3-ethylanilino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate?
The canonical SMILES for [2-(3-ethylanilino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate is CCc1cccc(NC(=O)COC(=O)CNC(=O)c2ccccc2I)c1.
What is the InChIKey of [2-(3-ethylanilino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate?
The InChIKey is NFNZKRLGOMSXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19IN2O4/c1-2-13-6-5-7-14(10-13)22-17(23)12-26-18(24)11-21-19(25)15-8-3-4-9-16(15)20/h3-10H,2,11-12H2,1H3,(H,21,25)(H,22,23).
What are the key properties of [2-(3-ethylanilino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate?
[2-(3-ethylanilino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate has a molecular weight of 466.28 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethylanilino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate is sourced from PubChem (CID 55307635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).