2-(2-fluorophenyl)-N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]acetamide

C19H19FN2O3 — CID 91632314

IUPAC2-(2-fluorophenyl)-N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]acetamide
SMILESO=C(Cc1ccccc1F)NCCN1Cc2ccccc2OCC1=O
InChIInChI=1S/C19H19FN2O3/c20-16-7-3-1-5-14(16)11-18(23)21-9-10-22-12-15-6-2-4-8-17(15)25-13-19(22)24/h1-8H,9-13H2,(H,21,23)
InChIKeyHUHDRGDJUASPBL-UHFFFAOYSA-N
MW342.37 g/mol
LogP1.91
Rot. Bonds5

About 2-(2-fluorophenyl)-N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]acetamide

2-(2-fluorophenyl)-N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]acetamide (PubChem CID 91632314) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]acetamide
PubChem CID91632314
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name2-(2-fluorophenyl)-N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]acetamide
SMILESO=C(Cc1ccccc1F)NCCN1Cc2ccccc2OCC1=O
InChIInChI=1S/C19H19FN2O3/c20-16-7-3-1-5-14(16)11-18(23)21-9-10-22-12-15-6-2-4-8-17(15)25-13-19(22)24/h1-8H,9-13H2,(H,21,23)
InChIKeyHUHDRGDJUASPBL-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-fluorophenyl)-N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]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

2-(2-fluorophenyl)-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]acetamide
CID 110729840
N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]isoquinoline-1-carboxamide
CID 91632318
N-[2-(7-chloro-3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 91632335
N-[2-(7-chloro-3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]-2,3,4-trifluorobenzamide
CID 91632332
N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]-1H-pyrazolo[4,5-b]pyridine-5-carboxamide
CID 166358887
5-cyclopropyl-N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 91632313
6-methoxy-N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]pyrimidine-4-carboxamide
CID 136565808
5-(dithiolan-3-yl)-N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]pentanamide
CID 119102266
2-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]acetamide
CID 167818634
N-[2-(2-fluorophenyl)ethyl]-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770418
2-(2-fluorophenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 43600344
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]acetamide (CID 91632314) is 2-(2-fluorophenyl)-N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]acetamide is O=C(Cc1ccccc1F)NCCN1Cc2ccccc2OCC1=O.
What is the InChIKey of 2-(2-fluorophenyl)-N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]acetamide?
The InChIKey is HUHDRGDJUASPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c20-16-7-3-1-5-14(16)11-18(23)21-9-10-22-12-15-6-2-4-8-17(15)25-13-19(22)24/h1-8H,9-13H2,(H,21,23).
What are the key properties of 2-(2-fluorophenyl)-N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]acetamide?
2-(2-fluorophenyl)-N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]acetamide has a molecular weight of 342.37 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]acetamide is sourced from PubChem (CID 91632314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).