2-(4-iodoanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide

C22H21IN2O3 — CID 54812430

IUPAC2-(4-iodoanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
SMILESO=C(CNc1ccc(I)cc1)Nc1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C22H21IN2O3/c23-17-9-11-18(12-10-17)24-16-22(26)25-19-5-4-8-21(15-19)28-14-13-27-20-6-2-1-3-7-20/h1-12,15,24H,13-14,16H2,(H,25,26)
InChIKeyYYILHLOWWNVUJC-UHFFFAOYSA-N
MW488.33 g/mol
LogP4.80
Rot. Bonds9

About 2-(4-iodoanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide

2-(4-iodoanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide (PubChem CID 54812430) has the molecular formula C22H21IN2O3 and a molecular weight of 488.33 g/mol. Its IUPAC name is 2-(4-iodoanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-iodoanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
PubChem CID54812430
Molecular FormulaC22H21IN2O3
Molecular Weight488.33 g/mol
Exact Mass488.06
IUPAC Name2-(4-iodoanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
SMILESO=C(CNc1ccc(I)cc1)Nc1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C22H21IN2O3/c23-17-9-11-18(12-10-17)24-16-22(26)25-19-5-4-8-21(15-19)28-14-13-27-20-6-2-1-3-7-20/h1-12,15,24H,13-14,16H2,(H,25,26)
InChIKeyYYILHLOWWNVUJC-UHFFFAOYSA-N
XLogP4.80
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.33
LogP ≤ 54.80
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-(4-methylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54813929
2-(3,4-dimethylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54811716
2-[4-(2-phenoxyethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide
CID 54822985
2-(3,5-dimethylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54813315
2-(3,4-dichloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54811847
2-[4-(2-phenoxyethoxy)anilino]-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54823077
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54827581
N-[3-(2-methoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820051
2-anilino-N-(3-ethoxyphenyl)acetamide
CID 54810362
2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54820125
N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837399
N-[4-(2-ethoxyethoxy)phenyl]-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54825982

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodoanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-iodoanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide (CID 54812430) is 2-(4-iodoanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-iodoanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-iodoanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide is O=C(CNc1ccc(I)cc1)Nc1cccc(OCCOc2ccccc2)c1.
What is the InChIKey of 2-(4-iodoanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
The InChIKey is YYILHLOWWNVUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21IN2O3/c23-17-9-11-18(12-10-17)24-16-22(26)25-19-5-4-8-21(15-19)28-14-13-27-20-6-2-1-3-7-20/h1-12,15,24H,13-14,16H2,(H,25,26).
What are the key properties of 2-(4-iodoanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
2-(4-iodoanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide has a molecular weight of 488.33 g/mol, XLogP of 4.80, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodoanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 54812430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).