5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide

C18H12ClFN2O2 — CID 58337433

IUPAC5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide
SMILESO=C(Nc1cccc(Oc2cccnc2)c1)c1cc(Cl)ccc1F
InChIInChI=1S/C18H12ClFN2O2/c19-12-6-7-17(20)16(9-12)18(23)22-13-3-1-4-14(10-13)24-15-5-2-8-21-11-15/h1-11H,(H,22,23)
InChIKeyAGQQTSWSFLUMLU-UHFFFAOYSA-N
MW342.76 g/mol
LogP4.92
Rot. Bonds4

About 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide

5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide (PubChem CID 58337433) has the molecular formula C18H12ClFN2O2 and a molecular weight of 342.76 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide
PubChem CID58337433
Molecular FormulaC18H12ClFN2O2
Molecular Weight342.76 g/mol
Exact Mass342.06
IUPAC Name5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide
SMILESO=C(Nc1cccc(Oc2cccnc2)c1)c1cc(Cl)ccc1F
InChIInChI=1S/C18H12ClFN2O2/c19-12-6-7-17(20)16(9-12)18(23)22-13-3-1-4-14(10-13)24-15-5-2-8-21-11-15/h1-11H,(H,22,23)
InChIKeyAGQQTSWSFLUMLU-UHFFFAOYSA-N
XLogP4.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.76
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide (CID 58337433) is 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide is O=C(Nc1cccc(Oc2cccnc2)c1)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide?
The InChIKey is AGQQTSWSFLUMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN2O2/c19-12-6-7-17(20)16(9-12)18(23)22-13-3-1-4-14(10-13)24-15-5-2-8-21-11-15/h1-11H,(H,22,23).
What are the key properties of 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide?
5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide has a molecular weight of 342.76 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide is sourced from PubChem (CID 58337433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).