N-[2-(4-fluorophenyl)ethyl]-2-(2-iodophenoxy)acetamide

C16H15FINO2 — CID 38878415

IUPACN-[2-(4-fluorophenyl)ethyl]-2-(2-iodophenoxy)acetamide
SMILESO=C(COc1ccccc1I)NCCc1ccc(F)cc1
InChIInChI=1S/C16H15FINO2/c17-13-7-5-12(6-8-13)9-10-19-16(20)11-21-15-4-2-1-3-14(15)18/h1-8H,9-11H2,(H,19,20)
InChIKeyBJRIHLFITCAWEX-UHFFFAOYSA-N
MW399.20 g/mol
LogP3.17
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-2-(2-iodophenoxy)acetamide

N-[2-(4-fluorophenyl)ethyl]-2-(2-iodophenoxy)acetamide (PubChem CID 38878415) has the molecular formula C16H15FINO2 and a molecular weight of 399.20 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-(2-iodophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-(2-iodophenoxy)acetamide
PubChem CID38878415
Molecular FormulaC16H15FINO2
Molecular Weight399.20 g/mol
Exact Mass399.01
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-(2-iodophenoxy)acetamide
SMILESO=C(COc1ccccc1I)NCCc1ccc(F)cc1
InChIInChI=1S/C16H15FINO2/c17-13-7-5-12(6-8-13)9-10-19-16(20)11-21-15-4-2-1-3-14(15)18/h1-8H,9-11H2,(H,19,20)
InChIKeyBJRIHLFITCAWEX-UHFFFAOYSA-N
XLogP3.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.20
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7700300
N-(4-fluorophenyl)-2-(2-iodophenoxy)acetamide
CID 38878179
N-[2-(3,4-difluorophenyl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 110788270
methyl 4-[2-[[2-(2-fluorophenoxy)acetyl]amino]ethyl]benzoate
CID 36775654
N-[2-(3,5-difluorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 51101643
N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-yloxyacetamide
CID 110487949
N-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)acetamide
CID 78812799
2-(2-bromo-4-chlorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7975078
2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 7700855
N-(cyclopropylmethyl)-2-(2-iodophenoxy)acetamide
CID 38880107
N-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide
CID 110755527
3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 32512845

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(2-iodophenoxy)acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(2-iodophenoxy)acetamide (CID 38878415) is N-[2-(4-fluorophenyl)ethyl]-2-(2-iodophenoxy)acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-(2-iodophenoxy)acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-(2-iodophenoxy)acetamide is O=C(COc1ccccc1I)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-(2-iodophenoxy)acetamide?
The InChIKey is BJRIHLFITCAWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FINO2/c17-13-7-5-12(6-8-13)9-10-19-16(20)11-21-15-4-2-1-3-14(15)18/h1-8H,9-11H2,(H,19,20).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-(2-iodophenoxy)acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-(2-iodophenoxy)acetamide has a molecular weight of 399.20 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-(2-iodophenoxy)acetamide is sourced from PubChem (CID 38878415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).