4-[(2-chlorophenoxy)methyl]-N-(2,3,5,6-tetrafluoro-4-pyridinyl)benzamide

C19H11ClF4N2O2 — CID 145488927

IUPAC4-[(2-chlorophenoxy)methyl]-N-(2,3,5,6-tetrafluoro-4-pyridinyl)benzamide
SMILESO=C(Nc1c(F)c(F)nc(F)c1F)c1ccc(COc2ccccc2Cl)cc1
InChIInChI=1S/C19H11ClF4N2O2/c20-12-3-1-2-4-13(12)28-9-10-5-7-11(8-6-10)19(27)25-16-14(21)17(23)26-18(24)15(16)22/h1-8H,9H2,(H,25,26,27)
InChIKeyLUUBWFDUCDURPP-UHFFFAOYSA-N
MW410.75 g/mol
LogP5.12
Rot. Bonds5

About 4-[(2-chlorophenoxy)methyl]-N-(2,3,5,6-tetrafluoro-4-pyridinyl)benzamide

4-[(2-chlorophenoxy)methyl]-N-(2,3,5,6-tetrafluoro-4-pyridinyl)benzamide (PubChem CID 145488927) has the molecular formula C19H11ClF4N2O2 and a molecular weight of 410.75 g/mol. Its IUPAC name is 4-[(2-chlorophenoxy)methyl]-N-(2,3,5,6-tetrafluoro-4-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[(2-chlorophenoxy)methyl]-N-(2,3,5,6-tetrafluoro-4-pyridinyl)benzamide
PubChem CID145488927
Molecular FormulaC19H11ClF4N2O2
Molecular Weight410.75 g/mol
Exact Mass410.04
IUPAC Name4-[(2-chlorophenoxy)methyl]-N-(2,3,5,6-tetrafluoro-4-pyridinyl)benzamide
SMILESO=C(Nc1c(F)c(F)nc(F)c1F)c1ccc(COc2ccccc2Cl)cc1
InChIInChI=1S/C19H11ClF4N2O2/c20-12-3-1-2-4-13(12)28-9-10-5-7-11(8-6-10)19(27)25-16-14(21)17(23)26-18(24)15(16)22/h1-8H,9H2,(H,25,26,27)
InChIKeyLUUBWFDUCDURPP-UHFFFAOYSA-N
XLogP5.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.75
LogP ≤ 55.12
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 4-[(2-chlorophenoxy)methyl]-N-(2,3,5,6-tetrafluoro-4-pyridinyl)benzamide?
The IUPAC name of 4-[(2-chlorophenoxy)methyl]-N-(2,3,5,6-tetrafluoro-4-pyridinyl)benzamide (CID 145488927) is 4-[(2-chlorophenoxy)methyl]-N-(2,3,5,6-tetrafluoro-4-pyridinyl)benzamide.
What is the SMILES notation for 4-[(2-chlorophenoxy)methyl]-N-(2,3,5,6-tetrafluoro-4-pyridinyl)benzamide?
The canonical SMILES for 4-[(2-chlorophenoxy)methyl]-N-(2,3,5,6-tetrafluoro-4-pyridinyl)benzamide is O=C(Nc1c(F)c(F)nc(F)c1F)c1ccc(COc2ccccc2Cl)cc1.
What is the InChIKey of 4-[(2-chlorophenoxy)methyl]-N-(2,3,5,6-tetrafluoro-4-pyridinyl)benzamide?
The InChIKey is LUUBWFDUCDURPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF4N2O2/c20-12-3-1-2-4-13(12)28-9-10-5-7-11(8-6-10)19(27)25-16-14(21)17(23)26-18(24)15(16)22/h1-8H,9H2,(H,25,26,27).
What are the key properties of 4-[(2-chlorophenoxy)methyl]-N-(2,3,5,6-tetrafluoro-4-pyridinyl)benzamide?
4-[(2-chlorophenoxy)methyl]-N-(2,3,5,6-tetrafluoro-4-pyridinyl)benzamide has a molecular weight of 410.75 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenoxy)methyl]-N-(2,3,5,6-tetrafluoro-4-pyridinyl)benzamide is sourced from PubChem (CID 145488927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).