2-[(5-amino-3-pyridinyl)oxy]-4-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]benzamide

C19H14F2IN3O2 — CID 58146028

IUPAC2-[(5-amino-3-pyridinyl)oxy]-4-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]benzamide
SMILESNC(=O)c1c(Cc2ccc(I)cc2F)cc(F)cc1Oc1cncc(N)c1
InChIInChI=1S/C19H14F2IN3O2/c20-12-4-11(3-10-1-2-13(22)6-16(10)21)18(19(24)26)17(5-12)27-15-7-14(23)8-25-9-15/h1-2,4-9H,3,23H2,(H2,24,26)
InChIKeyFTFBJOIZNOHWOJ-UHFFFAOYSA-N
MW481.24 g/mol
LogP4.03
Rot. Bonds5

About 2-[(5-amino-3-pyridinyl)oxy]-4-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]benzamide

2-[(5-amino-3-pyridinyl)oxy]-4-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]benzamide (PubChem CID 58146028) has the molecular formula C19H14F2IN3O2 and a molecular weight of 481.24 g/mol. Its IUPAC name is 2-[(5-amino-3-pyridinyl)oxy]-4-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[(5-amino-3-pyridinyl)oxy]-4-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]benzamide
PubChem CID58146028
Molecular FormulaC19H14F2IN3O2
Molecular Weight481.24 g/mol
Exact Mass481.01
IUPAC Name2-[(5-amino-3-pyridinyl)oxy]-4-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]benzamide
SMILESNC(=O)c1c(Cc2ccc(I)cc2F)cc(F)cc1Oc1cncc(N)c1
InChIInChI=1S/C19H14F2IN3O2/c20-12-4-11(3-10-1-2-13(22)6-16(10)21)18(19(24)26)17(5-12)27-15-7-14(23)8-25-9-15/h1-2,4-9H,3,23H2,(H2,24,26)
InChIKeyFTFBJOIZNOHWOJ-UHFFFAOYSA-N
XLogP4.03
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.24
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide
CID 161217817
4-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-[3-[2-(3-methyl-1,2-oxazol-4-yl)-2-oxoethyl]phenoxy]benzamide
CID 58146030
4-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-(pyrrolidin-3-ylmethoxy)benzamide
CID 58196953
[(2R)-4-[2-carbamoyl-5-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]phenoxy]-2-hydroxybutyl] methanesulfonate
CID 58145904
4-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]benzamide
CID 58145897
4-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-(5-oxo-6-phenylhexoxy)benzamide
CID 58146047
2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]-4-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]benzamide
CID 58196893
4-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methoxy]benzamide
CID 58146014
tert-butyl (2S)-2-[[2-carbamoyl-5-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]phenoxy]methyl]pyrrolidine-1-carboxylate
CID 58145941
tert-butyl 3-[[2-carbamoyl-5-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]phenoxy]methyl]pyrrolidine-1-carboxylate
CID 58145869
4-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methoxy]benzamide
CID 58145909
tert-butyl 3-[[2-carbamoyl-5-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]phenoxy]methyl]piperidine-1-carboxylate
CID 58146060

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-3-pyridinyl)oxy]-4-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]benzamide?
The IUPAC name of 2-[(5-amino-3-pyridinyl)oxy]-4-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]benzamide (CID 58146028) is 2-[(5-amino-3-pyridinyl)oxy]-4-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]benzamide.
What is the SMILES notation for 2-[(5-amino-3-pyridinyl)oxy]-4-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]benzamide?
The canonical SMILES for 2-[(5-amino-3-pyridinyl)oxy]-4-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]benzamide is NC(=O)c1c(Cc2ccc(I)cc2F)cc(F)cc1Oc1cncc(N)c1.
What is the InChIKey of 2-[(5-amino-3-pyridinyl)oxy]-4-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]benzamide?
The InChIKey is FTFBJOIZNOHWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2IN3O2/c20-12-4-11(3-10-1-2-13(22)6-16(10)21)18(19(24)26)17(5-12)27-15-7-14(23)8-25-9-15/h1-2,4-9H,3,23H2,(H2,24,26).
What are the key properties of 2-[(5-amino-3-pyridinyl)oxy]-4-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]benzamide?
2-[(5-amino-3-pyridinyl)oxy]-4-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]benzamide has a molecular weight of 481.24 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-3-pyridinyl)oxy]-4-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]benzamide is sourced from PubChem (CID 58146028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).