N-[6-[(2,5-difluorophenyl)methyl]-3-pyridinyl]-2,6-difluorobenzamide

C19H12F4N2O — CID 58486951

IUPACN-[6-[(2,5-difluorophenyl)methyl]-3-pyridinyl]-2,6-difluorobenzamide
SMILESO=C(Nc1ccc(Cc2cc(F)ccc2F)nc1)c1c(F)cccc1F
InChIInChI=1S/C19H12F4N2O/c20-12-4-7-15(21)11(8-12)9-13-5-6-14(10-24-13)25-19(26)18-16(22)2-1-3-17(18)23/h1-8,10H,9H2,(H,25,26)
InChIKeyUNGZMYMOSFBDAF-UHFFFAOYSA-N
MW360.31 g/mol
LogP4.48
Rot. Bonds4

About N-[6-[(2,5-difluorophenyl)methyl]-3-pyridinyl]-2,6-difluorobenzamide

N-[6-[(2,5-difluorophenyl)methyl]-3-pyridinyl]-2,6-difluorobenzamide (PubChem CID 58486951) has the molecular formula C19H12F4N2O and a molecular weight of 360.31 g/mol. Its IUPAC name is N-[6-[(2,5-difluorophenyl)methyl]-3-pyridinyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[6-[(2,5-difluorophenyl)methyl]-3-pyridinyl]-2,6-difluorobenzamide
PubChem CID58486951
Molecular FormulaC19H12F4N2O
Molecular Weight360.31 g/mol
Exact Mass360.09
IUPAC NameN-[6-[(2,5-difluorophenyl)methyl]-3-pyridinyl]-2,6-difluorobenzamide
SMILESO=C(Nc1ccc(Cc2cc(F)ccc2F)nc1)c1c(F)cccc1F
InChIInChI=1S/C19H12F4N2O/c20-12-4-7-15(21)11(8-12)9-13-5-6-14(10-24-13)25-19(26)18-16(22)2-1-3-17(18)23/h1-8,10H,9H2,(H,25,26)
InChIKeyUNGZMYMOSFBDAF-UHFFFAOYSA-N
XLogP4.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.31
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(2,5-difluorophenyl)methyl]-3-pyridinyl]-2,6-difluorobenzamide?
The IUPAC name of N-[6-[(2,5-difluorophenyl)methyl]-3-pyridinyl]-2,6-difluorobenzamide (CID 58486951) is N-[6-[(2,5-difluorophenyl)methyl]-3-pyridinyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[6-[(2,5-difluorophenyl)methyl]-3-pyridinyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[6-[(2,5-difluorophenyl)methyl]-3-pyridinyl]-2,6-difluorobenzamide is O=C(Nc1ccc(Cc2cc(F)ccc2F)nc1)c1c(F)cccc1F.
What is the InChIKey of N-[6-[(2,5-difluorophenyl)methyl]-3-pyridinyl]-2,6-difluorobenzamide?
The InChIKey is UNGZMYMOSFBDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4N2O/c20-12-4-7-15(21)11(8-12)9-13-5-6-14(10-24-13)25-19(26)18-16(22)2-1-3-17(18)23/h1-8,10H,9H2,(H,25,26).
What are the key properties of N-[6-[(2,5-difluorophenyl)methyl]-3-pyridinyl]-2,6-difluorobenzamide?
N-[6-[(2,5-difluorophenyl)methyl]-3-pyridinyl]-2,6-difluorobenzamide has a molecular weight of 360.31 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2,5-difluorophenyl)methyl]-3-pyridinyl]-2,6-difluorobenzamide is sourced from PubChem (CID 58486951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).