N-(2-fluorophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

C17H15FN2O3 — CID 1455757

IUPACN-(2-fluorophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCc1ccc2c(c1)N(CC(=O)Nc1ccccc1F)C(=O)CO2
InChIInChI=1S/C17H15FN2O3/c1-11-6-7-15-14(8-11)20(17(22)10-23-15)9-16(21)19-13-5-3-2-4-12(13)18/h2-8H,9-10H2,1H3,(H,19,21)
InChIKeyQYJCQVXDHIVKSX-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.50
Rot. Bonds3

About N-(2-fluorophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

N-(2-fluorophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 1455757) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID1455757
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC NameN-(2-fluorophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCc1ccc2c(c1)N(CC(=O)Nc1ccccc1F)C(=O)CO2
InChIInChI=1S/C17H15FN2O3/c1-11-6-7-15-14(8-11)20(17(22)10-23-15)9-16(21)19-13-5-3-2-4-12(13)18/h2-8H,9-10H2,1H3,(H,19,21)
InChIKeyQYJCQVXDHIVKSX-UHFFFAOYSA-N
XLogP2.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

AC-260584
CID 9928284
1-(2-(dimethylamino)-4-(trifluoromethyl)benzyl)-3-(3,4-dihydro-3-oxo-2H-benzo[b][1,4]oxazin-8-yl)urea
CID 53476470
4-(2-Piperidin-1-ylethyl)-7-propyl-1,4-benzoxazin-3-one
CID 59630032
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 2653640
4-Benzyl-8-(piperazin-1-yl)-4H-benzo[1,4]oxazin-3-one
CID 10019089
6-{2-[4-(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-1-piperazinyl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
CID 10319235
7-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-4-methyl-4H-benzo[1,4]oxazin-3-one
CID 10573576
4-Methyl-7-[4-[4-[3-(trifluoromethyl)phenyl]piperazino]butyl]-2H-1,4-benzoxazine-3(4H)-one
CID 10718277
4-Methyl-7-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-4H-benzo[1,4]oxazin-3-one
CID 10788207
4-(4-Methoxy-benzyl)-4H-benzo[1,4]oxazin-3-one
CID 1431724
2-(2-Ethyl-6-methyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3155043
2H-1,4-Benzoxazine-3(4H)-one, 6-methyl-
CID 2763839

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 1455757) is N-(2-fluorophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is Cc1ccc2c(c1)N(CC(=O)Nc1ccccc1F)C(=O)CO2.
What is the InChIKey of N-(2-fluorophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is QYJCQVXDHIVKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c1-11-6-7-15-14(8-11)20(17(22)10-23-15)9-16(21)19-13-5-3-2-4-12(13)18/h2-8H,9-10H2,1H3,(H,19,21).
What are the key properties of N-(2-fluorophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-(2-fluorophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 314.32 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 1455757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).