N-(6-chloro-3-pyridinyl)-3-fluoro-4-phenoxybenzamide

C18H12ClFN2O2 — CID 70686226

IUPACN-(6-chloro-3-pyridinyl)-3-fluoro-4-phenoxybenzamide
SMILESO=C(Nc1ccc(Cl)nc1)c1ccc(Oc2ccccc2)c(F)c1
InChIInChI=1S/C18H12ClFN2O2/c19-17-9-7-13(11-21-17)22-18(23)12-6-8-16(15(20)10-12)24-14-4-2-1-3-5-14/h1-11H,(H,22,23)
InChIKeyHOQZTZKRHWEMOY-UHFFFAOYSA-N
MW342.76 g/mol
LogP4.92
Rot. Bonds4

About N-(6-chloro-3-pyridinyl)-3-fluoro-4-phenoxybenzamide

N-(6-chloro-3-pyridinyl)-3-fluoro-4-phenoxybenzamide (PubChem CID 70686226) has the molecular formula C18H12ClFN2O2 and a molecular weight of 342.76 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-3-fluoro-4-phenoxybenzamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-3-fluoro-4-phenoxybenzamide
PubChem CID70686226
Molecular FormulaC18H12ClFN2O2
Molecular Weight342.76 g/mol
Exact Mass342.06
IUPAC NameN-(6-chloro-3-pyridinyl)-3-fluoro-4-phenoxybenzamide
SMILESO=C(Nc1ccc(Cl)nc1)c1ccc(Oc2ccccc2)c(F)c1
InChIInChI=1S/C18H12ClFN2O2/c19-17-9-7-13(11-21-17)22-18(23)12-6-8-16(15(20)10-12)24-14-4-2-1-3-5-14/h1-11H,(H,22,23)
InChIKeyHOQZTZKRHWEMOY-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-3-fluoro-4-phenoxybenzamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-3-fluoro-4-phenoxybenzamide (CID 70686226) is N-(6-chloro-3-pyridinyl)-3-fluoro-4-phenoxybenzamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-3-fluoro-4-phenoxybenzamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-3-fluoro-4-phenoxybenzamide is O=C(Nc1ccc(Cl)nc1)c1ccc(Oc2ccccc2)c(F)c1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-3-fluoro-4-phenoxybenzamide?
The InChIKey is HOQZTZKRHWEMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN2O2/c19-17-9-7-13(11-21-17)22-18(23)12-6-8-16(15(20)10-12)24-14-4-2-1-3-5-14/h1-11H,(H,22,23).
What are the key properties of N-(6-chloro-3-pyridinyl)-3-fluoro-4-phenoxybenzamide?
N-(6-chloro-3-pyridinyl)-3-fluoro-4-phenoxybenzamide 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 N-(6-chloro-3-pyridinyl)-3-fluoro-4-phenoxybenzamide is sourced from PubChem (CID 70686226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).