2-[4-(4-fluorobenzoyl)phenoxy]-N-(4-iodophenyl)acetamide

C21H15FINO3 — CID 47003985

IUPAC2-[4-(4-fluorobenzoyl)phenoxy]-N-(4-iodophenyl)acetamide
SMILESO=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)Nc1ccc(I)cc1
InChIInChI=1S/C21H15FINO3/c22-16-5-1-14(2-6-16)21(26)15-3-11-19(12-4-15)27-13-20(25)24-18-9-7-17(23)8-10-18/h1-12H,13H2,(H,24,25)
InChIKeyBJPCPQRAUDWVHT-UHFFFAOYSA-N
MW475.26 g/mol
LogP4.68
Rot. Bonds6

About 2-[4-(4-fluorobenzoyl)phenoxy]-N-(4-iodophenyl)acetamide

2-[4-(4-fluorobenzoyl)phenoxy]-N-(4-iodophenyl)acetamide (PubChem CID 47003985) has the molecular formula C21H15FINO3 and a molecular weight of 475.26 g/mol. Its IUPAC name is 2-[4-(4-fluorobenzoyl)phenoxy]-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorobenzoyl)phenoxy]-N-(4-iodophenyl)acetamide
PubChem CID47003985
Molecular FormulaC21H15FINO3
Molecular Weight475.26 g/mol
Exact Mass475.01
IUPAC Name2-[4-(4-fluorobenzoyl)phenoxy]-N-(4-iodophenyl)acetamide
SMILESO=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)Nc1ccc(I)cc1
InChIInChI=1S/C21H15FINO3/c22-16-5-1-14(2-6-16)21(26)15-3-11-19(12-4-15)27-13-20(25)24-18-9-7-17(23)8-10-18/h1-12H,13H2,(H,24,25)
InChIKeyBJPCPQRAUDWVHT-UHFFFAOYSA-N
XLogP4.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.26
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-fluorobenzoyl)phenoxy]-N-(4-hydroxyphenyl)acetamide
CID 38906195
2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-(4-iodophenyl)acetamide
CID 126396397
4-[2-(4-fluoroanilino)-2-oxoethoxy]benzoate
CID 2219088
4-[[2-(4-fluorophenoxy)acetyl]amino]benzoate
CID 7372868
2-[4-[[2-(4-iodophenoxy)acetyl]amino]phenoxy]acetic acid
CID 1288987
2-(4-fluorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 9323790
4-[[2-(4-iodophenoxy)acetyl]amino]-N-methylbenzamide
CID 9076385
N'-[2-(4-fluorophenoxy)acetyl]-4-iodobenzohydrazide
CID 27836051
N-(4-bromophenyl)-2-(4-iodophenoxy)acetamide
CID 55027089
N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide
CID 26218143
2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 4732741
N-(4-ethylphenyl)-2-(4-fluorophenoxy)acetamide
CID 893586

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorobenzoyl)phenoxy]-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-[4-(4-fluorobenzoyl)phenoxy]-N-(4-iodophenyl)acetamide (CID 47003985) is 2-[4-(4-fluorobenzoyl)phenoxy]-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-[4-(4-fluorobenzoyl)phenoxy]-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-[4-(4-fluorobenzoyl)phenoxy]-N-(4-iodophenyl)acetamide is O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)Nc1ccc(I)cc1.
What is the InChIKey of 2-[4-(4-fluorobenzoyl)phenoxy]-N-(4-iodophenyl)acetamide?
The InChIKey is BJPCPQRAUDWVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FINO3/c22-16-5-1-14(2-6-16)21(26)15-3-11-19(12-4-15)27-13-20(25)24-18-9-7-17(23)8-10-18/h1-12H,13H2,(H,24,25).
What are the key properties of 2-[4-(4-fluorobenzoyl)phenoxy]-N-(4-iodophenyl)acetamide?
2-[4-(4-fluorobenzoyl)phenoxy]-N-(4-iodophenyl)acetamide has a molecular weight of 475.26 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorobenzoyl)phenoxy]-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 47003985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).