2,2,2-trifluoro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide

C16H9F3N2O3 — CID 825300

IUPAC2,2,2-trifluoro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
SMILESO=C(Nc1ccccc1-c1nc2ccccc2c(=O)o1)C(F)(F)F
InChIInChI=1S/C16H9F3N2O3/c17-16(18,19)15(23)21-11-7-3-1-5-9(11)13-20-12-8-4-2-6-10(12)14(22)24-13/h1-8H,(H,21,23)
InChIKeyOESYATCJAHPFLT-UHFFFAOYSA-N
MW334.25 g/mol
LogP3.36
Rot. Bonds2

About 2,2,2-trifluoro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide

2,2,2-trifluoro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide (PubChem CID 825300) has the molecular formula C16H9F3N2O3 and a molecular weight of 334.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
PubChem CID825300
Molecular FormulaC16H9F3N2O3
Molecular Weight334.25 g/mol
Exact Mass334.06
IUPAC Name2,2,2-trifluoro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
SMILESO=C(Nc1ccccc1-c1nc2ccccc2c(=O)o1)C(F)(F)F
InChIInChI=1S/C16H9F3N2O3/c17-16(18,19)15(23)21-11-7-3-1-5-9(11)13-20-12-8-4-2-6-10(12)14(22)24-13/h1-8H,(H,21,23)
InChIKeyOESYATCJAHPFLT-UHFFFAOYSA-N
XLogP3.36
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9,10-dioxo-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]anthracene-2-carboxamide
CID 143844115
N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]pyrazine-2-carboxamide
CID 143844190
2-methoxy-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
CID 143844116
1-(3-chlorophenyl)-3-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]urea
CID 58616063
molecular hydrogen;N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-3-phenylbenzamide
CID 143844150
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2,2-trifluoroacetamide
CID 9185237
[3-[[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]carbamoyl]naphthalen-2-yl] acetate
CID 143844163
1-(3-methoxyphenyl)-3-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]urea
CID 58616068
1-(4-ethoxyphenyl)-3-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]urea
CID 58616073
2,2-dimethyl-5-[[2-(4-oxo-3,1-benzoxazin-2-yl)anilino]methylidene]-1,3-dioxane-4,6-dione
CID 168540448
N-[5-amino-2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]naphthalene-2-carboxamide
CID 143844182
1-formyl-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]naphthalene-2-sulfonamide
CID 135365496

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide (CID 825300) is 2,2,2-trifluoro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide is O=C(Nc1ccccc1-c1nc2ccccc2c(=O)o1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide?
The InChIKey is OESYATCJAHPFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N2O3/c17-16(18,19)15(23)21-11-7-3-1-5-9(11)13-20-12-8-4-2-6-10(12)14(22)24-13/h1-8H,(H,21,23).
What are the key properties of 2,2,2-trifluoro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide?
2,2,2-trifluoro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide has a molecular weight of 334.25 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide is sourced from PubChem (CID 825300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).