2-(2-fluorophenyl)-N-[(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)methyl]acetamide

C19H19FN2O3 — CID 110783886

IUPAC2-(2-fluorophenyl)-N-[(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)methyl]acetamide
SMILESCN1C(=O)CCOc2ccc(CNC(=O)Cc3ccccc3F)cc21
InChIInChI=1S/C19H19FN2O3/c1-22-16-10-13(6-7-17(16)25-9-8-19(22)24)12-21-18(23)11-14-4-2-3-5-15(14)20/h2-7,10H,8-9,11-12H2,1H3,(H,21,23)
InChIKeyIVULUGHOHBUALV-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.43
Rot. Bonds4

About 2-(2-fluorophenyl)-N-[(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)methyl]acetamide

2-(2-fluorophenyl)-N-[(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)methyl]acetamide (PubChem CID 110783886) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)methyl]acetamide
PubChem CID110783886
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name2-(2-fluorophenyl)-N-[(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)methyl]acetamide
SMILESCN1C(=O)CCOc2ccc(CNC(=O)Cc3ccccc3F)cc21
InChIInChI=1S/C19H19FN2O3/c1-22-16-10-13(6-7-17(16)25-9-8-19(22)24)12-21-18(23)11-14-4-2-3-5-15(14)20/h2-7,10H,8-9,11-12H2,1H3,(H,21,23)
InChIKeyIVULUGHOHBUALV-UHFFFAOYSA-N
XLogP2.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-fluorophenyl)-N-[(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)methyl]acetamide with MolForge

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Related Compounds

2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-N-(2-methylpropyl)acetamide
CID 110770822
N-[2-(2-fluorophenyl)ethyl]-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770418
2-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]benzamide
CID 110783546
1-[(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)methyl]-3-propan-2-ylurea
CID 110775263
2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-N-pentylacetamide
CID 110770862
N-[(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110794390
3-(2-fluorophenyl)-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]propanamide
CID 110781694
N-cyclohexyl-2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)acetamide
CID 110770827
2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 110770402
N-(3-methoxyphenyl)-2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)acetamide
CID 110770888
3-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)propanoic acid
CID 82232417
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 2-(2-fluorophenyl)-N-[(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)methyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)methyl]acetamide (CID 110783886) is 2-(2-fluorophenyl)-N-[(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)methyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)methyl]acetamide is CN1C(=O)CCOc2ccc(CNC(=O)Cc3ccccc3F)cc21.
What is the InChIKey of 2-(2-fluorophenyl)-N-[(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)methyl]acetamide?
The InChIKey is IVULUGHOHBUALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-22-16-10-13(6-7-17(16)25-9-8-19(22)24)12-21-18(23)11-14-4-2-3-5-15(14)20/h2-7,10H,8-9,11-12H2,1H3,(H,21,23).
What are the key properties of 2-(2-fluorophenyl)-N-[(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)methyl]acetamide?
2-(2-fluorophenyl)-N-[(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)methyl]acetamide has a molecular weight of 342.37 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)methyl]acetamide is sourced from PubChem (CID 110783886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).