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

C19H12F5N3O — CID 133371592

IUPAC4-fluoro-N-[3-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]phenyl]benzamide
SMILESO=C(Nc1cccc(CNc2c(F)c(F)nc(F)c2F)c1)c1ccc(F)cc1
InChIInChI=1S/C19H12F5N3O/c20-12-6-4-11(5-7-12)19(28)26-13-3-1-2-10(8-13)9-25-16-14(21)17(23)27-18(24)15(16)22/h1-8H,9H2,(H,25,27)(H,26,28)
InChIKeyNXMSTQPLOYLFMX-UHFFFAOYSA-N
MW393.32 g/mol
LogP4.64
Rot. Bonds5

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

4-fluoro-N-[3-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]phenyl]benzamide (PubChem CID 133371592) has the molecular formula C19H12F5N3O and a molecular weight of 393.32 g/mol. Its IUPAC name is 4-fluoro-N-[3-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]phenyl]benzamide
PubChem CID133371592
Molecular FormulaC19H12F5N3O
Molecular Weight393.32 g/mol
Exact Mass393.09
IUPAC Name4-fluoro-N-[3-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]phenyl]benzamide
SMILESO=C(Nc1cccc(CNc2c(F)c(F)nc(F)c2F)c1)c1ccc(F)cc1
InChIInChI=1S/C19H12F5N3O/c20-12-6-4-11(5-7-12)19(28)26-13-3-1-2-10(8-13)9-25-16-14(21)17(23)27-18(24)15(16)22/h1-8H,9H2,(H,25,27)(H,26,28)
InChIKeyNXMSTQPLOYLFMX-UHFFFAOYSA-N
XLogP4.64
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.32
LogP ≤ 54.64
H-Bond Donors ≤ 52
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-fluoro-N-[3-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]phenyl]benzamide (CID 133371592) is 4-fluoro-N-[3-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]phenyl]benzamide is O=C(Nc1cccc(CNc2c(F)c(F)nc(F)c2F)c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[3-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]phenyl]benzamide?
The InChIKey is NXMSTQPLOYLFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F5N3O/c20-12-6-4-11(5-7-12)19(28)26-13-3-1-2-10(8-13)9-25-16-14(21)17(23)27-18(24)15(16)22/h1-8H,9H2,(H,25,27)(H,26,28).
What are the key properties of 4-fluoro-N-[3-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]phenyl]benzamide?
4-fluoro-N-[3-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]phenyl]benzamide has a molecular weight of 393.32 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]phenyl]benzamide is sourced from PubChem (CID 133371592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).