N-(1,2-benzoxazol-3-yl)-2,3-difluorobenzamide

C14H8F2N2O2 — CID 11988661

IUPACN-(1,2-benzoxazol-3-yl)-2,3-difluorobenzamide
SMILESO=C(Nc1noc2ccccc12)c1cccc(F)c1F
InChIInChI=1S/C14H8F2N2O2/c15-10-6-3-5-9(12(10)16)14(19)17-13-8-4-1-2-7-11(8)20-18-13/h1-7H,(H,17,18,19)
InChIKeyXQDOHFMZOGKJMU-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.36
Rot. Bonds2

About N-(1,2-benzoxazol-3-yl)-2,3-difluorobenzamide

N-(1,2-benzoxazol-3-yl)-2,3-difluorobenzamide (PubChem CID 11988661) has the molecular formula C14H8F2N2O2 and a molecular weight of 274.23 g/mol. Its IUPAC name is N-(1,2-benzoxazol-3-yl)-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-(1,2-benzoxazol-3-yl)-2,3-difluorobenzamide
PubChem CID11988661
Molecular FormulaC14H8F2N2O2
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC NameN-(1,2-benzoxazol-3-yl)-2,3-difluorobenzamide
SMILESO=C(Nc1noc2ccccc12)c1cccc(F)c1F
InChIInChI=1S/C14H8F2N2O2/c15-10-6-3-5-9(12(10)16)14(19)17-13-8-4-1-2-7-11(8)20-18-13/h1-7H,(H,17,18,19)
InChIKeyXQDOHFMZOGKJMU-UHFFFAOYSA-N
XLogP3.36
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.36
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)-2,3-difluorobenzamide?
The IUPAC name of N-(1,2-benzoxazol-3-yl)-2,3-difluorobenzamide (CID 11988661) is N-(1,2-benzoxazol-3-yl)-2,3-difluorobenzamide.
What is the SMILES notation for N-(1,2-benzoxazol-3-yl)-2,3-difluorobenzamide?
The canonical SMILES for N-(1,2-benzoxazol-3-yl)-2,3-difluorobenzamide is O=C(Nc1noc2ccccc12)c1cccc(F)c1F.
What is the InChIKey of N-(1,2-benzoxazol-3-yl)-2,3-difluorobenzamide?
The InChIKey is XQDOHFMZOGKJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N2O2/c15-10-6-3-5-9(12(10)16)14(19)17-13-8-4-1-2-7-11(8)20-18-13/h1-7H,(H,17,18,19).
What are the key properties of N-(1,2-benzoxazol-3-yl)-2,3-difluorobenzamide?
N-(1,2-benzoxazol-3-yl)-2,3-difluorobenzamide has a molecular weight of 274.23 g/mol, XLogP of 3.36, 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)-2,3-difluorobenzamide is sourced from PubChem (CID 11988661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).