2,6-difluoro-N-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]benzamide

C24H18F2N2O2 — CID 11553184

IUPAC2,6-difluoro-N-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]benzamide
SMILESCc1cc(-c2ccc(C)c(-c3ccc(NC(=O)c4c(F)cccc4F)cc3)c2)on1
InChIInChI=1S/C24H18F2N2O2/c1-14-6-7-17(22-12-15(2)28-30-22)13-19(14)16-8-10-18(11-9-16)27-24(29)23-20(25)4-3-5-21(23)26/h3-13H,1-2H3,(H,27,29)
InChIKeyHEYNONRWYRATQB-UHFFFAOYSA-N
MW404.42 g/mol
LogP6.16
Rot. Bonds4

About 2,6-difluoro-N-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]benzamide

2,6-difluoro-N-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]benzamide (PubChem CID 11553184) has the molecular formula C24H18F2N2O2 and a molecular weight of 404.42 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]benzamide
PubChem CID11553184
Molecular FormulaC24H18F2N2O2
Molecular Weight404.42 g/mol
Exact Mass404.13
IUPAC Name2,6-difluoro-N-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]benzamide
SMILESCc1cc(-c2ccc(C)c(-c3ccc(NC(=O)c4c(F)cccc4F)cc3)c2)on1
InChIInChI=1S/C24H18F2N2O2/c1-14-6-7-17(22-12-15(2)28-30-22)13-19(14)16-8-10-18(11-9-16)27-24(29)23-20(25)4-3-5-21(23)26/h3-13H,1-2H3,(H,27,29)
InChIKeyHEYNONRWYRATQB-UHFFFAOYSA-N
XLogP6.16
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.42
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]benzamide (CID 11553184) is 2,6-difluoro-N-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]benzamide is Cc1cc(-c2ccc(C)c(-c3ccc(NC(=O)c4c(F)cccc4F)cc3)c2)on1.
What is the InChIKey of 2,6-difluoro-N-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]benzamide?
The InChIKey is HEYNONRWYRATQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2O2/c1-14-6-7-17(22-12-15(2)28-30-22)13-19(14)16-8-10-18(11-9-16)27-24(29)23-20(25)4-3-5-21(23)26/h3-13H,1-2H3,(H,27,29).
What are the key properties of 2,6-difluoro-N-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]benzamide?
2,6-difluoro-N-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]benzamide has a molecular weight of 404.42 g/mol, XLogP of 6.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]benzamide is sourced from PubChem (CID 11553184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).