2-bromo-5-fluoro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide

C14H8BrFN2O3 — CID 60731828

IUPAC2-bromo-5-fluoro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
SMILESO=C(Nc1ccc2oc(=O)[nH]c2c1)c1cc(F)ccc1Br
InChIInChI=1S/C14H8BrFN2O3/c15-10-3-1-7(16)5-9(10)13(19)17-8-2-4-12-11(6-8)18-14(20)21-12/h1-6H,(H,17,19)(H,18,20)
InChIKeyLJXYGKCOWYOMJD-UHFFFAOYSA-N
MW351.13 g/mol
LogP3.28
Rot. Bonds2

About 2-bromo-5-fluoro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide

2-bromo-5-fluoro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide (PubChem CID 60731828) has the molecular formula C14H8BrFN2O3 and a molecular weight of 351.13 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
PubChem CID60731828
Molecular FormulaC14H8BrFN2O3
Molecular Weight351.13 g/mol
Exact Mass349.97
IUPAC Name2-bromo-5-fluoro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
SMILESO=C(Nc1ccc2oc(=O)[nH]c2c1)c1cc(F)ccc1Br
InChIInChI=1S/C14H8BrFN2O3/c15-10-3-1-7(16)5-9(10)13(19)17-8-2-4-12-11(6-8)18-14(20)21-12/h1-6H,(H,17,19)(H,18,20)
InChIKeyLJXYGKCOWYOMJD-UHFFFAOYSA-N
XLogP3.28
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.13
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 110607962
2-(difluoromethoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38468167
2-bromo-5-fluoro-N-(2-methyl-3H-benzimidazol-5-yl)benzamide
CID 60707578
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenoxybenzamide
CID 38466452
2-bromo-N-(4-chloro-3-hydroxyphenyl)-5-fluorobenzamide
CID 64789249
1-oxido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridin-1-ium-4-carboxamide
CID 38466723
2-bromo-5-fluoro-N-(1H-indol-5-yl)benzamide
CID 60865687
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide
CID 39568217
4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38468547
2-bromo-5-fluoro-N-pyridin-4-ylbenzamide
CID 24689645
4-methylsulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466944
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-indole-4-carboxamide
CID 112525958

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide (CID 60731828) is 2-bromo-5-fluoro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide is O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is LJXYGKCOWYOMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFN2O3/c15-10-3-1-7(16)5-9(10)13(19)17-8-2-4-12-11(6-8)18-14(20)21-12/h1-6H,(H,17,19)(H,18,20).
What are the key properties of 2-bromo-5-fluoro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
2-bromo-5-fluoro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 351.13 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 60731828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).