N-(1,2-benzoxazol-3-yl)-3-fluoro-4-(trifluoromethyl)benzamide

C15H8F4N2O2 — CID 11990244

IUPACN-(1,2-benzoxazol-3-yl)-3-fluoro-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1noc2ccccc12)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C15H8F4N2O2/c16-11-7-8(5-6-10(11)15(17,18)19)14(22)20-13-9-3-1-2-4-12(9)23-21-13/h1-7H,(H,20,21,22)
InChIKeyBRVQDGCUZAFGNE-UHFFFAOYSA-N
MW324.23 g/mol
LogP4.24
Rot. Bonds2

About N-(1,2-benzoxazol-3-yl)-3-fluoro-4-(trifluoromethyl)benzamide

N-(1,2-benzoxazol-3-yl)-3-fluoro-4-(trifluoromethyl)benzamide (PubChem CID 11990244) has the molecular formula C15H8F4N2O2 and a molecular weight of 324.23 g/mol. Its IUPAC name is N-(1,2-benzoxazol-3-yl)-3-fluoro-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1,2-benzoxazol-3-yl)-3-fluoro-4-(trifluoromethyl)benzamide
PubChem CID11990244
Molecular FormulaC15H8F4N2O2
Molecular Weight324.23 g/mol
Exact Mass324.05
IUPAC NameN-(1,2-benzoxazol-3-yl)-3-fluoro-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1noc2ccccc12)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C15H8F4N2O2/c16-11-7-8(5-6-10(11)15(17,18)19)14(22)20-13-9-3-1-2-4-12(9)23-21-13/h1-7H,(H,20,21,22)
InChIKeyBRVQDGCUZAFGNE-UHFFFAOYSA-N
XLogP4.24
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzoxazol-3-yl)-3-fluoro-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(1,2-benzoxazol-3-yl)-3-fluoro-4-(trifluoromethyl)benzamide (CID 11990244) is N-(1,2-benzoxazol-3-yl)-3-fluoro-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1,2-benzoxazol-3-yl)-3-fluoro-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1,2-benzoxazol-3-yl)-3-fluoro-4-(trifluoromethyl)benzamide is O=C(Nc1noc2ccccc12)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of N-(1,2-benzoxazol-3-yl)-3-fluoro-4-(trifluoromethyl)benzamide?
The InChIKey is BRVQDGCUZAFGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F4N2O2/c16-11-7-8(5-6-10(11)15(17,18)19)14(22)20-13-9-3-1-2-4-12(9)23-21-13/h1-7H,(H,20,21,22).
What are the key properties of N-(1,2-benzoxazol-3-yl)-3-fluoro-4-(trifluoromethyl)benzamide?
N-(1,2-benzoxazol-3-yl)-3-fluoro-4-(trifluoromethyl)benzamide has a molecular weight of 324.23 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzoxazol-3-yl)-3-fluoro-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 11990244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).