2-iodo-N-[2-oxo-2-[2-(4-phenoxyphenyl)ethylamino]ethyl]benzamide

C23H21IN2O3 — CID 11409427

IUPAC2-iodo-N-[2-oxo-2-[2-(4-phenoxyphenyl)ethylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1I)NCCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H21IN2O3/c24-21-9-5-4-8-20(21)23(28)26-16-22(27)25-15-14-17-10-12-19(13-11-17)29-18-6-2-1-3-7-18/h1-13H,14-16H2,(H,25,27)(H,26,28)
InChIKeyCHVBPAWJEUWTCZ-UHFFFAOYSA-N
MW500.34 g/mol
LogP4.17
Rot. Bonds8

About 2-iodo-N-[2-oxo-2-[2-(4-phenoxyphenyl)ethylamino]ethyl]benzamide

2-iodo-N-[2-oxo-2-[2-(4-phenoxyphenyl)ethylamino]ethyl]benzamide (PubChem CID 11409427) has the molecular formula C23H21IN2O3 and a molecular weight of 500.34 g/mol. Its IUPAC name is 2-iodo-N-[2-oxo-2-[2-(4-phenoxyphenyl)ethylamino]ethyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[2-oxo-2-[2-(4-phenoxyphenyl)ethylamino]ethyl]benzamide
PubChem CID11409427
Molecular FormulaC23H21IN2O3
Molecular Weight500.34 g/mol
Exact Mass500.06
IUPAC Name2-iodo-N-[2-oxo-2-[2-(4-phenoxyphenyl)ethylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1I)NCCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H21IN2O3/c24-21-9-5-4-8-20(21)23(28)26-16-22(27)25-15-14-17-10-12-19(13-11-17)29-18-6-2-1-3-7-18/h1-13H,14-16H2,(H,25,27)(H,26,28)
InChIKeyCHVBPAWJEUWTCZ-UHFFFAOYSA-N
XLogP4.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.34
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 29263740
2-iodo-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide
CID 32933927
2-iodo-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 2687936
2-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 35811048
N-[2-(4-hydroxyphenyl)ethyl]-2-iodobenzamide
CID 47059383
2-iodo-N-(2-pyridin-4-ylethyl)benzamide
CID 61400553
2-iodo-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 55586921
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 27548820
2-iodo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 2688094
2-iodo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 26594284
2-iodo-N-(4-phenoxyphenyl)benzamide
CID 1010138
methyl 6-[[2-[(2-iodobenzoyl)amino]acetyl]amino]hexanoate
CID 31840801

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[2-oxo-2-[2-(4-phenoxyphenyl)ethylamino]ethyl]benzamide?
The IUPAC name of 2-iodo-N-[2-oxo-2-[2-(4-phenoxyphenyl)ethylamino]ethyl]benzamide (CID 11409427) is 2-iodo-N-[2-oxo-2-[2-(4-phenoxyphenyl)ethylamino]ethyl]benzamide.
What is the SMILES notation for 2-iodo-N-[2-oxo-2-[2-(4-phenoxyphenyl)ethylamino]ethyl]benzamide?
The canonical SMILES for 2-iodo-N-[2-oxo-2-[2-(4-phenoxyphenyl)ethylamino]ethyl]benzamide is O=C(CNC(=O)c1ccccc1I)NCCc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-iodo-N-[2-oxo-2-[2-(4-phenoxyphenyl)ethylamino]ethyl]benzamide?
The InChIKey is CHVBPAWJEUWTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21IN2O3/c24-21-9-5-4-8-20(21)23(28)26-16-22(27)25-15-14-17-10-12-19(13-11-17)29-18-6-2-1-3-7-18/h1-13H,14-16H2,(H,25,27)(H,26,28).
What are the key properties of 2-iodo-N-[2-oxo-2-[2-(4-phenoxyphenyl)ethylamino]ethyl]benzamide?
2-iodo-N-[2-oxo-2-[2-(4-phenoxyphenyl)ethylamino]ethyl]benzamide has a molecular weight of 500.34 g/mol, XLogP of 4.17, 8 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-(4-phenoxyphenyl)ethylamino]ethyl]benzamide is sourced from PubChem (CID 11409427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).