2-[[5-fluoro-2-(4-methoxyphenoxy)-4-pyridinyl]amino]benzamide

C19H16FN3O3 — CID 57396060

IUPAC2-[[5-fluoro-2-(4-methoxyphenoxy)-4-pyridinyl]amino]benzamide
SMILESCOc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(F)cn2)cc1
InChIInChI=1S/C19H16FN3O3/c1-25-12-6-8-13(9-7-12)26-18-10-17(15(20)11-22-18)23-16-5-3-2-4-14(16)19(21)24/h2-11H,1H3,(H2,21,24)(H,22,23)
InChIKeyLRUPHJAQKSRDNC-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.86
Rot. Bonds6

About 2-[[5-fluoro-2-(4-methoxyphenoxy)-4-pyridinyl]amino]benzamide

2-[[5-fluoro-2-(4-methoxyphenoxy)-4-pyridinyl]amino]benzamide (PubChem CID 57396060) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is 2-[[5-fluoro-2-(4-methoxyphenoxy)-4-pyridinyl]amino]benzamide.

Molecular Properties

Compound Name2-[[5-fluoro-2-(4-methoxyphenoxy)-4-pyridinyl]amino]benzamide
PubChem CID57396060
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Name2-[[5-fluoro-2-(4-methoxyphenoxy)-4-pyridinyl]amino]benzamide
SMILESCOc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(F)cn2)cc1
InChIInChI=1S/C19H16FN3O3/c1-25-12-6-8-13(9-7-12)26-18-10-17(15(20)11-22-18)23-16-5-3-2-4-14(16)19(21)24/h2-11H,1H3,(H2,21,24)(H,22,23)
InChIKeyLRUPHJAQKSRDNC-UHFFFAOYSA-N
XLogP3.86
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-fluoro-2-(4-methoxyphenoxy)-4-pyridinyl]amino]benzamide?
The IUPAC name of 2-[[5-fluoro-2-(4-methoxyphenoxy)-4-pyridinyl]amino]benzamide (CID 57396060) is 2-[[5-fluoro-2-(4-methoxyphenoxy)-4-pyridinyl]amino]benzamide.
What is the SMILES notation for 2-[[5-fluoro-2-(4-methoxyphenoxy)-4-pyridinyl]amino]benzamide?
The canonical SMILES for 2-[[5-fluoro-2-(4-methoxyphenoxy)-4-pyridinyl]amino]benzamide is COc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(F)cn2)cc1.
What is the InChIKey of 2-[[5-fluoro-2-(4-methoxyphenoxy)-4-pyridinyl]amino]benzamide?
The InChIKey is LRUPHJAQKSRDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c1-25-12-6-8-13(9-7-12)26-18-10-17(15(20)11-22-18)23-16-5-3-2-4-14(16)19(21)24/h2-11H,1H3,(H2,21,24)(H,22,23).
What are the key properties of 2-[[5-fluoro-2-(4-methoxyphenoxy)-4-pyridinyl]amino]benzamide?
2-[[5-fluoro-2-(4-methoxyphenoxy)-4-pyridinyl]amino]benzamide has a molecular weight of 353.35 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-fluoro-2-(4-methoxyphenoxy)-4-pyridinyl]amino]benzamide is sourced from PubChem (CID 57396060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).