2-iodo-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide

C17H17IN2O3 — CID 32933927

IUPAC2-iodo-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1I)NCCOc1ccccc1
InChIInChI=1S/C17H17IN2O3/c18-15-9-5-4-8-14(15)17(22)20-12-16(21)19-10-11-23-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,21)(H,20,22)
InChIKeyPHMZGFHBWLUTOJ-UHFFFAOYSA-N
MW424.24 g/mol
LogP2.22
Rot. Bonds7

About 2-iodo-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide

2-iodo-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide (PubChem CID 32933927) has the molecular formula C17H17IN2O3 and a molecular weight of 424.24 g/mol. Its IUPAC name is 2-iodo-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide
PubChem CID32933927
Molecular FormulaC17H17IN2O3
Molecular Weight424.24 g/mol
Exact Mass424.03
IUPAC Name2-iodo-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1I)NCCOc1ccccc1
InChIInChI=1S/C17H17IN2O3/c18-15-9-5-4-8-14(15)17(22)20-12-16(21)19-10-11-23-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,21)(H,20,22)
InChIKeyPHMZGFHBWLUTOJ-UHFFFAOYSA-N
XLogP2.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.24
LogP ≤ 52.22
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-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 55586921
2-chloro-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide
CID 26676807
2-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 35811048
2-[(2-iodobenzoyl)amino]-N-(2-phenoxyethyl)benzamide
CID 2298863
N-[2-[2-(1,3-benzodioxol-5-yloxy)ethylamino]-2-oxoethyl]-2-iodobenzamide
CID 55847087
2-iodo-N-[2-oxo-2-[2-(4-phenoxyphenyl)ethylamino]ethyl]benzamide
CID 11409427
2-iodo-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 29263740
2-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9022566
N-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]benzamide
CID 27861644
methyl 6-[[2-[(2-iodobenzoyl)amino]acetyl]amino]hexanoate
CID 31840801
2-(ethylamino)-N-(2-phenoxyethyl)acetamide
CID 60672813
N-[2-[[3-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide
CID 60545218

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide?
The IUPAC name of 2-iodo-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide (CID 32933927) is 2-iodo-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide.
What is the SMILES notation for 2-iodo-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide?
The canonical SMILES for 2-iodo-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide is O=C(CNC(=O)c1ccccc1I)NCCOc1ccccc1.
What is the InChIKey of 2-iodo-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide?
The InChIKey is PHMZGFHBWLUTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2O3/c18-15-9-5-4-8-14(15)17(22)20-12-16(21)19-10-11-23-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,21)(H,20,22).
What are the key properties of 2-iodo-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide?
2-iodo-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide has a molecular weight of 424.24 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide is sourced from PubChem (CID 32933927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).