2-[2-(4-iodoanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]benzamide

C24H22IN3O4 — CID 46943210

IUPAC2-[2-(4-iodoanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]benzamide
SMILESCN(C(=O)CNC(=O)c1ccccc1OCC(=O)Nc1ccc(I)cc1)c1ccccc1
InChIInChI=1S/C24H22IN3O4/c1-28(19-7-3-2-4-8-19)23(30)15-26-24(31)20-9-5-6-10-21(20)32-16-22(29)27-18-13-11-17(25)12-14-18/h2-14H,15-16H2,1H3,(H,26,31)(H,27,29)
InChIKeyHFVDMJQQAKLUSN-UHFFFAOYSA-N
MW543.36 g/mol
LogP3.70
Rot. Bonds8

About 2-[2-(4-iodoanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]benzamide

2-[2-(4-iodoanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]benzamide (PubChem CID 46943210) has the molecular formula C24H22IN3O4 and a molecular weight of 543.36 g/mol. Its IUPAC name is 2-[2-(4-iodoanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-[2-(4-iodoanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]benzamide
PubChem CID46943210
Molecular FormulaC24H22IN3O4
Molecular Weight543.36 g/mol
Exact Mass543.07
IUPAC Name2-[2-(4-iodoanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]benzamide
SMILESCN(C(=O)CNC(=O)c1ccccc1OCC(=O)Nc1ccc(I)cc1)c1ccccc1
InChIInChI=1S/C24H22IN3O4/c1-28(19-7-3-2-4-8-19)23(30)15-26-24(31)20-9-5-6-10-21(20)32-16-22(29)27-18-13-11-17(25)12-14-18/h2-14H,15-16H2,1H3,(H,26,31)(H,27,29)
InChIKeyHFVDMJQQAKLUSN-UHFFFAOYSA-N
XLogP3.70
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.36
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-iodoanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 2-[2-(4-iodoanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]benzamide (CID 46943210) is 2-[2-(4-iodoanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-[2-(4-iodoanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-[2-(4-iodoanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]benzamide is CN(C(=O)CNC(=O)c1ccccc1OCC(=O)Nc1ccc(I)cc1)c1ccccc1.
What is the InChIKey of 2-[2-(4-iodoanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]benzamide?
The InChIKey is HFVDMJQQAKLUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22IN3O4/c1-28(19-7-3-2-4-8-19)23(30)15-26-24(31)20-9-5-6-10-21(20)32-16-22(29)27-18-13-11-17(25)12-14-18/h2-14H,15-16H2,1H3,(H,26,31)(H,27,29).
What are the key properties of 2-[2-(4-iodoanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]benzamide?
2-[2-(4-iodoanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]benzamide has a molecular weight of 543.36 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-iodoanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 46943210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).