2-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide

C12H15IN2O3 — CID 35811048

IUPAC2-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
SMILESCOCCNC(=O)CNC(=O)c1ccccc1I
InChIInChI=1S/C12H15IN2O3/c1-18-7-6-14-11(16)8-15-12(17)9-4-2-3-5-10(9)13/h2-5H,6-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyCAYVGMYOCJKZBP-UHFFFAOYSA-N
MW362.17 g/mol
LogP0.78
Rot. Bonds6

About 2-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide

2-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide (PubChem CID 35811048) has the molecular formula C12H15IN2O3 and a molecular weight of 362.17 g/mol. Its IUPAC name is 2-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
PubChem CID35811048
Molecular FormulaC12H15IN2O3
Molecular Weight362.17 g/mol
Exact Mass362.01
IUPAC Name2-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
SMILESCOCCNC(=O)CNC(=O)c1ccccc1I
InChIInChI=1S/C12H15IN2O3/c1-18-7-6-14-11(16)8-15-12(17)9-4-2-3-5-10(9)13/h2-5H,6-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyCAYVGMYOCJKZBP-UHFFFAOYSA-N
XLogP0.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide
CID 32933927
2-iodo-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 55586921
2-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 47100986
methyl 6-[[2-[(2-iodobenzoyl)amino]acetyl]amino]hexanoate
CID 31840801
2-iodo-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 29263740
2-iodo-N-[4-(2-methoxyethoxy)butyl]benzamide
CID 113229092
1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574
2-iodo-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 27742948
2-[2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid
CID 115923787
methyl N-[2-[(2-iodobenzoyl)amino]ethyl]carbamate
CID 108571243
2-iodo-N-[2-oxo-2-[2-(4-phenoxyphenyl)ethylamino]ethyl]benzamide
CID 11409427
2-iodo-N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]benzamide
CID 25472463

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide?
The IUPAC name of 2-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide (CID 35811048) is 2-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide is COCCNC(=O)CNC(=O)c1ccccc1I.
What is the InChIKey of 2-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide?
The InChIKey is CAYVGMYOCJKZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O3/c1-18-7-6-14-11(16)8-15-12(17)9-4-2-3-5-10(9)13/h2-5H,6-8H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 2-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide?
2-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide has a molecular weight of 362.17 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 35811048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).