N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-2-(3-fluorophenoxy)acetamide

C18H17FN2O4 — CID 110715051

IUPACN-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-2-(3-fluorophenoxy)acetamide
SMILESCC(=O)N1CCOc2ccc(NC(=O)COc3cccc(F)c3)cc21
InChIInChI=1S/C18H17FN2O4/c1-12(22)21-7-8-24-17-6-5-14(10-16(17)21)20-18(23)11-25-15-4-2-3-13(19)9-15/h2-6,9-10H,7-8,11H2,1H3,(H,20,23)
InChIKeyLAEKZDIHLQDJPW-UHFFFAOYSA-N
MW344.34 g/mol
LogP2.59
Rot. Bonds4

About N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-2-(3-fluorophenoxy)acetamide

N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-2-(3-fluorophenoxy)acetamide (PubChem CID 110715051) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-2-(3-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-2-(3-fluorophenoxy)acetamide
PubChem CID110715051
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC NameN-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-2-(3-fluorophenoxy)acetamide
SMILESCC(=O)N1CCOc2ccc(NC(=O)COc3cccc(F)c3)cc21
InChIInChI=1S/C18H17FN2O4/c1-12(22)21-7-8-24-17-6-5-14(10-16(17)21)20-18(23)11-25-15-4-2-3-13(19)9-15/h2-6,9-10H,7-8,11H2,1H3,(H,20,23)
InChIKeyLAEKZDIHLQDJPW-UHFFFAOYSA-N
XLogP2.59
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-phenoxyacetamide
CID 110639900
1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(3-fluorophenoxy)ethanone
CID 110714309
N-(1,3-benzodioxol-5-yl)-2-(3-fluorophenoxy)acetamide
CID 2709600
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-(2-methoxyphenoxy)acetamide
CID 110639921
2-(3-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 2709796
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-phenoxyacetamide
CID 7527152
N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)acetamide
CID 2711600
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732
1-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-(2,2-dimethylpropyl)urea
CID 110747559
N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-phenoxyacetamide
CID 16826908
methyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate
CID 7834630
N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-phenoxyacetamide
CID 16826896

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-2-(3-fluorophenoxy)acetamide?
The IUPAC name of N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-2-(3-fluorophenoxy)acetamide (CID 110715051) is N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-2-(3-fluorophenoxy)acetamide.
What is the SMILES notation for N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-2-(3-fluorophenoxy)acetamide?
The canonical SMILES for N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-2-(3-fluorophenoxy)acetamide is CC(=O)N1CCOc2ccc(NC(=O)COc3cccc(F)c3)cc21.
What is the InChIKey of N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-2-(3-fluorophenoxy)acetamide?
The InChIKey is LAEKZDIHLQDJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c1-12(22)21-7-8-24-17-6-5-14(10-16(17)21)20-18(23)11-25-15-4-2-3-13(19)9-15/h2-6,9-10H,7-8,11H2,1H3,(H,20,23).
What are the key properties of N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-2-(3-fluorophenoxy)acetamide?
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-2-(3-fluorophenoxy)acetamide has a molecular weight of 344.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-2-(3-fluorophenoxy)acetamide is sourced from PubChem (CID 110715051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).