N-[4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-methoxyacetamide

C18H17FN2O4 — CID 18524667

IUPACN-[4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc2c(c1)OCC(=O)N2Cc1ccccc1F
InChIInChI=1S/C18H17FN2O4/c1-24-10-17(22)20-13-6-7-15-16(8-13)25-11-18(23)21(15)9-12-4-2-3-5-14(12)19/h2-8H,9-11H2,1H3,(H,20,22)
InChIKeyVDJKZWXIFRNMAH-UHFFFAOYSA-N
MW344.34 g/mol
LogP2.34
Rot. Bonds5

About N-[4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-methoxyacetamide

N-[4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-methoxyacetamide (PubChem CID 18524667) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is N-[4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-methoxyacetamide
PubChem CID18524667
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC NameN-[4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc2c(c1)OCC(=O)N2Cc1ccccc1F
InChIInChI=1S/C18H17FN2O4/c1-24-10-17(22)20-13-6-7-15-16(8-13)25-11-18(23)21(15)9-12-4-2-3-5-14(12)19/h2-8H,9-11H2,1H3,(H,20,22)
InChIKeyVDJKZWXIFRNMAH-UHFFFAOYSA-N
XLogP2.34
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Apararenone
CID 24744336
AC-260584
CID 9928284
(2S)-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinolino[7,6-b][1,4]oxazin-7-one
CID 9885493
(2R)-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinolino[7,6-b][1,4]oxazin-7-one
CID 9951041
1,3-dimethyl-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinolino[7,6-b][1,4]oxazin-7-one
CID 9817717
1-propyl-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinolino[7,6-b][1,4]oxazin-7-one
CID 9818221
3-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinolino[7,6-b][1,4]oxazin-7-one
CID 9820510
1-ethyl-2-methyl-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinolino[7,6-b][1,4]oxazin-7-one
CID 9839747
1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinolino[7,6-b][1,4]oxazin-7-one
CID 9841404
1-(cyclopropylmethyl)-2-ethyl-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinolino[7,6-b][1,4]oxazin-7-one
CID 9841413
2-ethyl-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinolino[7,6-b][1,4]oxazin-7-one
CID 9842832
(2R)-2-(propan-2-yl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinolino[7,6-b][1,4]oxazin-7-one
CID 9843571

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-methoxyacetamide?
The IUPAC name of N-[4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-methoxyacetamide (CID 18524667) is N-[4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-methoxyacetamide?
The canonical SMILES for N-[4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-methoxyacetamide is COCC(=O)Nc1ccc2c(c1)OCC(=O)N2Cc1ccccc1F.
What is the InChIKey of N-[4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-methoxyacetamide?
The InChIKey is VDJKZWXIFRNMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c1-24-10-17(22)20-13-6-7-15-16(8-13)25-11-18(23)21(15)9-12-4-2-3-5-14(12)19/h2-8H,9-11H2,1H3,(H,20,22).
What are the key properties of N-[4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-methoxyacetamide?
N-[4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-methoxyacetamide has a molecular weight of 344.34 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-methoxyacetamide is sourced from PubChem (CID 18524667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).