2-[2-[[5-fluoro-2-(3-fluorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid

C21H16F2N2O4 — CID 141335059

IUPAC2-[2-[[5-fluoro-2-(3-fluorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid
SMILESO=C(O)c1ccccc1CCNC(=O)c1cc(F)cnc1Oc1cccc(F)c1
InChIInChI=1S/C21H16F2N2O4/c22-14-5-3-6-16(10-14)29-20-18(11-15(23)12-25-20)19(26)24-9-8-13-4-1-2-7-17(13)21(27)28/h1-7,10-12H,8-9H2,(H,24,26)(H,27,28)
InChIKeyQPCRWMPJCYCQMX-UHFFFAOYSA-N
MW398.37 g/mol
LogP3.82
Rot. Bonds7

About 2-[2-[[5-fluoro-2-(3-fluorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid

2-[2-[[5-fluoro-2-(3-fluorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid (PubChem CID 141335059) has the molecular formula C21H16F2N2O4 and a molecular weight of 398.37 g/mol. Its IUPAC name is 2-[2-[[5-fluoro-2-(3-fluorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[[5-fluoro-2-(3-fluorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid
PubChem CID141335059
Molecular FormulaC21H16F2N2O4
Molecular Weight398.37 g/mol
Exact Mass398.11
IUPAC Name2-[2-[[5-fluoro-2-(3-fluorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid
SMILESO=C(O)c1ccccc1CCNC(=O)c1cc(F)cnc1Oc1cccc(F)c1
InChIInChI=1S/C21H16F2N2O4/c22-14-5-3-6-16(10-14)29-20-18(11-15(23)12-25-20)19(26)24-9-8-13-4-1-2-7-17(13)21(27)28/h1-7,10-12H,8-9H2,(H,24,26)(H,27,28)
InChIKeyQPCRWMPJCYCQMX-UHFFFAOYSA-N
XLogP3.82
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-fluoro-2-(3-fluorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid?
The IUPAC name of 2-[2-[[5-fluoro-2-(3-fluorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid (CID 141335059) is 2-[2-[[5-fluoro-2-(3-fluorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid.
What is the SMILES notation for 2-[2-[[5-fluoro-2-(3-fluorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid?
The canonical SMILES for 2-[2-[[5-fluoro-2-(3-fluorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid is O=C(O)c1ccccc1CCNC(=O)c1cc(F)cnc1Oc1cccc(F)c1.
What is the InChIKey of 2-[2-[[5-fluoro-2-(3-fluorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid?
The InChIKey is QPCRWMPJCYCQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O4/c22-14-5-3-6-16(10-14)29-20-18(11-15(23)12-25-20)19(26)24-9-8-13-4-1-2-7-17(13)21(27)28/h1-7,10-12H,8-9H2,(H,24,26)(H,27,28).
What are the key properties of 2-[2-[[5-fluoro-2-(3-fluorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid?
2-[2-[[5-fluoro-2-(3-fluorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid has a molecular weight of 398.37 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-fluoro-2-(3-fluorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid is sourced from PubChem (CID 141335059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).