2-[2-[5-[(4-fluorophenyl)methoxy]-2-iodophenyl]ethylamino]propanamide

C18H20FIN2O2 — CID 22641884

IUPAC2-[2-[5-[(4-fluorophenyl)methoxy]-2-iodophenyl]ethylamino]propanamide
SMILESCC(NCCc1cc(OCc2ccc(F)cc2)ccc1I)C(N)=O
InChIInChI=1S/C18H20FIN2O2/c1-12(18(21)23)22-9-8-14-10-16(6-7-17(14)20)24-11-13-2-4-15(19)5-3-13/h2-7,10,12,22H,8-9,11H2,1H3,(H2,21,23)
InChIKeyFUENSYCDLQWMAP-UHFFFAOYSA-N
MW442.27 g/mol
LogP3.02
Rot. Bonds8

About 2-[2-[5-[(4-fluorophenyl)methoxy]-2-iodophenyl]ethylamino]propanamide

2-[2-[5-[(4-fluorophenyl)methoxy]-2-iodophenyl]ethylamino]propanamide (PubChem CID 22641884) has the molecular formula C18H20FIN2O2 and a molecular weight of 442.27 g/mol. Its IUPAC name is 2-[2-[5-[(4-fluorophenyl)methoxy]-2-iodophenyl]ethylamino]propanamide.

Molecular Properties

Compound Name2-[2-[5-[(4-fluorophenyl)methoxy]-2-iodophenyl]ethylamino]propanamide
PubChem CID22641884
Molecular FormulaC18H20FIN2O2
Molecular Weight442.27 g/mol
Exact Mass442.06
IUPAC Name2-[2-[5-[(4-fluorophenyl)methoxy]-2-iodophenyl]ethylamino]propanamide
SMILESCC(NCCc1cc(OCc2ccc(F)cc2)ccc1I)C(N)=O
InChIInChI=1S/C18H20FIN2O2/c1-12(18(21)23)22-9-8-14-10-16(6-7-17(14)20)24-11-13-2-4-15(19)5-3-13/h2-7,10,12,22H,8-9,11H2,1H3,(H2,21,23)
InChIKeyFUENSYCDLQWMAP-UHFFFAOYSA-N
XLogP3.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.27
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide;methanesulfonic acid
CID 3038502
methyl 2-[4-[(4-fluorophenoxy)methyl]phenoxy]propanoate
CID 54068292
(2S)-2-[(3-phenylmethoxyphenyl)methylamino]propanamide
CID 10708191
3-[4-[(4-fluorophenyl)methoxy]phenyl]propanamide
CID 91686884
2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanamide;hydrochloride
CID 67125309
(2S)-2-[[4-(1H-indol-5-yloxymethyl)phenyl]methylamino]propanamide
CID 157124408
(2S)-2-[ethyl(methyl)amino]-4-(2-iodo-5-phenylmethoxyphenyl)butanoic acid
CID 59688144
3-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide
CID 119317323
(2S)-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylamino]propanamide
CID 23625206
(2S)-2-[[7-[(4-fluorophenyl)methoxy]-1,3-benzodioxol-4-yl]methylamino]propanamide
CID 148616843
2-methylpropyl 4-[(4-fluorophenyl)methoxy]benzoate
CID 82186361
(2R)-2-[6-[(4-fluorophenyl)methoxy]-1-hydroxy-3-oxoisoquinolin-2-yl]propanamide
CID 90692877

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[(4-fluorophenyl)methoxy]-2-iodophenyl]ethylamino]propanamide?
The IUPAC name of 2-[2-[5-[(4-fluorophenyl)methoxy]-2-iodophenyl]ethylamino]propanamide (CID 22641884) is 2-[2-[5-[(4-fluorophenyl)methoxy]-2-iodophenyl]ethylamino]propanamide.
What is the SMILES notation for 2-[2-[5-[(4-fluorophenyl)methoxy]-2-iodophenyl]ethylamino]propanamide?
The canonical SMILES for 2-[2-[5-[(4-fluorophenyl)methoxy]-2-iodophenyl]ethylamino]propanamide is CC(NCCc1cc(OCc2ccc(F)cc2)ccc1I)C(N)=O.
What is the InChIKey of 2-[2-[5-[(4-fluorophenyl)methoxy]-2-iodophenyl]ethylamino]propanamide?
The InChIKey is FUENSYCDLQWMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FIN2O2/c1-12(18(21)23)22-9-8-14-10-16(6-7-17(14)20)24-11-13-2-4-15(19)5-3-13/h2-7,10,12,22H,8-9,11H2,1H3,(H2,21,23).
What are the key properties of 2-[2-[5-[(4-fluorophenyl)methoxy]-2-iodophenyl]ethylamino]propanamide?
2-[2-[5-[(4-fluorophenyl)methoxy]-2-iodophenyl]ethylamino]propanamide has a molecular weight of 442.27 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-[(4-fluorophenyl)methoxy]-2-iodophenyl]ethylamino]propanamide is sourced from PubChem (CID 22641884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).