3-fluoro-N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide

C22H17FN2O2 — CID 15991027

IUPAC3-fluoro-N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCc1ccc2oc(-c3ccc(NC(=O)c4cccc(F)c4)c(C)c3)nc2c1
InChIInChI=1S/C22H17FN2O2/c1-13-6-9-20-19(10-13)25-22(27-20)16-7-8-18(14(2)11-16)24-21(26)15-4-3-5-17(23)12-15/h3-12H,1-2H3,(H,24,26)
InChIKeyZLFCFXWJMIQHSK-UHFFFAOYSA-N
MW360.39 g/mol
LogP5.50
Rot. Bonds3

About 3-fluoro-N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide

3-fluoro-N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide (PubChem CID 15991027) has the molecular formula C22H17FN2O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is 3-fluoro-N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
PubChem CID15991027
Molecular FormulaC22H17FN2O2
Molecular Weight360.39 g/mol
Exact Mass360.13
IUPAC Name3-fluoro-N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCc1ccc2oc(-c3ccc(NC(=O)c4cccc(F)c4)c(C)c3)nc2c1
InChIInChI=1S/C22H17FN2O2/c1-13-6-9-20-19(10-13)25-22(27-20)16-7-8-18(14(2)11-16)24-21(26)15-4-3-5-17(23)12-15/h3-12H,1-2H3,(H,24,26)
InChIKeyZLFCFXWJMIQHSK-UHFFFAOYSA-N
XLogP5.50
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.39
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide (CID 15991027) is 3-fluoro-N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide is Cc1ccc2oc(-c3ccc(NC(=O)c4cccc(F)c4)c(C)c3)nc2c1.
What is the InChIKey of 3-fluoro-N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The InChIKey is ZLFCFXWJMIQHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2/c1-13-6-9-20-19(10-13)25-22(27-20)16-7-8-18(14(2)11-16)24-21(26)15-4-3-5-17(23)12-15/h3-12H,1-2H3,(H,24,26).
What are the key properties of 3-fluoro-N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
3-fluoro-N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide has a molecular weight of 360.39 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 15991027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).