2-iodo-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide

C18H19IN2O4 — CID 55586921

IUPAC2-iodo-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
SMILESCOc1cccc(OCCNC(=O)CNC(=O)c2ccccc2I)c1
InChIInChI=1S/C18H19IN2O4/c1-24-13-5-4-6-14(11-13)25-10-9-20-17(22)12-21-18(23)15-7-2-3-8-16(15)19/h2-8,11H,9-10,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyWJOSEVBVEIGJSX-UHFFFAOYSA-N
MW454.26 g/mol
LogP2.22
Rot. Bonds8

About 2-iodo-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide

2-iodo-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide (PubChem CID 55586921) has the molecular formula C18H19IN2O4 and a molecular weight of 454.26 g/mol. Its IUPAC name is 2-iodo-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
PubChem CID55586921
Molecular FormulaC18H19IN2O4
Molecular Weight454.26 g/mol
Exact Mass454.04
IUPAC Name2-iodo-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
SMILESCOc1cccc(OCCNC(=O)CNC(=O)c2ccccc2I)c1
InChIInChI=1S/C18H19IN2O4/c1-24-13-5-4-6-14(11-13)25-10-9-20-17(22)12-21-18(23)15-7-2-3-8-16(15)19/h2-8,11H,9-10,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyWJOSEVBVEIGJSX-UHFFFAOYSA-N
XLogP2.22
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.26
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methoxyethylamino)-2-oxoethyl]benzamide
CID 35811048
N-[2-[2-(1,3-benzodioxol-5-yloxy)ethylamino]-2-oxoethyl]-2-iodobenzamide
CID 55847087
3,4,5-trimethoxy-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 46423426
N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
CID 113099798
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methoxyphenyl)acetamide
CID 46399940
N-[2-[[3-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide
CID 60545218
2-iodo-N-[(3-methoxyphenyl)methyl]benzamide
CID 2468432
2-ethyl-N-[2-(3-methoxyphenoxy)ethyl]butanamide
CID 113099794
N-[2-(3-methoxyphenoxy)ethyl]-3-methylbutanamide
CID 113099793
2-chloro-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide
CID 26676807
2-(2,6-dichlorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]acetamide
CID 46449388

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2-iodo-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide (CID 55586921) is 2-iodo-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-iodo-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-iodo-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide is COc1cccc(OCCNC(=O)CNC(=O)c2ccccc2I)c1.
What is the InChIKey of 2-iodo-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide?
The InChIKey is WJOSEVBVEIGJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19IN2O4/c1-24-13-5-4-6-14(11-13)25-10-9-20-17(22)12-21-18(23)15-7-2-3-8-16(15)19/h2-8,11H,9-10,12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-iodo-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide?
2-iodo-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide has a molecular weight of 454.26 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 55586921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).