N-[2-(4-fluorophenyl)ethyl]-2-(3-iodophenoxy)propanamide

C17H17FINO2 — CID 112786440

IUPACN-[2-(4-fluorophenyl)ethyl]-2-(3-iodophenoxy)propanamide
SMILESCC(Oc1cccc(I)c1)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C17H17FINO2/c1-12(22-16-4-2-3-15(19)11-16)17(21)20-10-9-13-5-7-14(18)8-6-13/h2-8,11-12H,9-10H2,1H3,(H,20,21)
InChIKeyJQANBKYBMOKFBJ-UHFFFAOYSA-N
MW413.23 g/mol
LogP3.56
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-2-(3-iodophenoxy)propanamide

N-[2-(4-fluorophenyl)ethyl]-2-(3-iodophenoxy)propanamide (PubChem CID 112786440) has the molecular formula C17H17FINO2 and a molecular weight of 413.23 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-(3-iodophenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-(3-iodophenoxy)propanamide
PubChem CID112786440
Molecular FormulaC17H17FINO2
Molecular Weight413.23 g/mol
Exact Mass413.03
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-(3-iodophenoxy)propanamide
SMILESCC(Oc1cccc(I)c1)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C17H17FINO2/c1-12(22-16-4-2-3-15(19)11-16)17(21)20-10-9-13-5-7-14(18)8-6-13/h2-8,11-12H,9-10H2,1H3,(H,20,21)
InChIKeyJQANBKYBMOKFBJ-UHFFFAOYSA-N
XLogP3.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.23
LogP ≤ 53.56
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

(2S)-2-(3-cyanophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 7964302
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-(3-nitrophenoxy)propanamide
CID 7865303
(2S)-2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 9391636
N-[2-(4-fluorophenyl)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 112778014
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 133164196
(2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 39710056
4-[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]oxybenzamide
CID 112778533
2-(2-ethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 133239774
2-(3-acetylphenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 51235146
(2R)-N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenoxy)propanamide
CID 92675443
2-(3-methoxyphenoxy)-N-(2-phenylethyl)propanamide
CID 19203903
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxypropanamide
CID 7564685

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(3-iodophenoxy)propanamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(3-iodophenoxy)propanamide (CID 112786440) is N-[2-(4-fluorophenyl)ethyl]-2-(3-iodophenoxy)propanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-(3-iodophenoxy)propanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-(3-iodophenoxy)propanamide is CC(Oc1cccc(I)c1)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-(3-iodophenoxy)propanamide?
The InChIKey is JQANBKYBMOKFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FINO2/c1-12(22-16-4-2-3-15(19)11-16)17(21)20-10-9-13-5-7-14(18)8-6-13/h2-8,11-12H,9-10H2,1H3,(H,20,21).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-(3-iodophenoxy)propanamide?
N-[2-(4-fluorophenyl)ethyl]-2-(3-iodophenoxy)propanamide has a molecular weight of 413.23 g/mol, XLogP of 3.56, 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-(3-iodophenoxy)propanamide is sourced from PubChem (CID 112786440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).