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

C19H19FN2O3 — CID 110770418

IUPACN-[2-(2-fluorophenyl)ethyl]-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
SMILESCN1C(=O)COc2ccc(CC(=O)NCCc3ccccc3F)cc21
InChIInChI=1S/C19H19FN2O3/c1-22-16-10-13(6-7-17(16)25-12-19(22)24)11-18(23)21-9-8-14-4-2-3-5-15(14)20/h2-7,10H,8-9,11-12H2,1H3,(H,21,23)
InChIKeySGEWCUTYAYKQPC-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.08
Rot. Bonds5

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

N-[2-(2-fluorophenyl)ethyl]-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide (PubChem CID 110770418) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
PubChem CID110770418
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
SMILESCN1C(=O)COc2ccc(CC(=O)NCCc3ccccc3F)cc21
InChIInChI=1S/C19H19FN2O3/c1-22-16-10-13(6-7-17(16)25-12-19(22)24)11-18(23)21-9-8-14-4-2-3-5-15(14)20/h2-7,10H,8-9,11-12H2,1H3,(H,21,23)
InChIKeySGEWCUTYAYKQPC-UHFFFAOYSA-N
XLogP2.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-fluorophenyl)ethyl]-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]propanamide
CID 110789967
2-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]benzamide
CID 110783546
2-(2-fluorophenyl)-N-[(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)methyl]acetamide
CID 110783886
N-[2-(4-fluorophenyl)ethyl]-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763854
4-chloro-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]benzamide
CID 110790000
2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-(2-methylpropyl)acetamide
CID 110770379
N-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]carbamoyl bromide
CID 115193948
2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 110770402
N-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 110790010
N-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]cyclopropanecarboxamide
CID 110789970
2-(2-fluorophenyl)-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]acetamide
CID 110729840
2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 110770413

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide (CID 110770418) is N-[2-(2-fluorophenyl)ethyl]-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide is CN1C(=O)COc2ccc(CC(=O)NCCc3ccccc3F)cc21.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide?
The InChIKey is SGEWCUTYAYKQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-22-16-10-13(6-7-17(16)25-12-19(22)24)11-18(23)21-9-8-14-4-2-3-5-15(14)20/h2-7,10H,8-9,11-12H2,1H3,(H,21,23).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide?
N-[2-(2-fluorophenyl)ethyl]-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide has a molecular weight of 342.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide is sourced from PubChem (CID 110770418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).