2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

C18H15F3N2O3 — CID 50833952

IUPAC2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CC1COc2ccccc2NC1=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H15F3N2O3/c19-18(20,21)12-5-7-13(8-6-12)22-16(24)9-11-10-26-15-4-2-1-3-14(15)23-17(11)25/h1-8,11H,9-10H2,(H,22,24)(H,23,25)
InChIKeyVYDGOYDZVYWSOK-UHFFFAOYSA-N
MW364.32 g/mol
LogP3.68
Rot. Bonds3

About 2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 50833952) has the molecular formula C18H15F3N2O3 and a molecular weight of 364.32 g/mol. Its IUPAC name is 2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID50833952
Molecular FormulaC18H15F3N2O3
Molecular Weight364.32 g/mol
Exact Mass364.10
IUPAC Name2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CC1COc2ccccc2NC1=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H15F3N2O3/c19-18(20,21)12-5-7-13(8-6-12)22-16(24)9-11-10-26-15-4-2-1-3-14(15)23-17(11)25/h1-8,11H,9-10H2,(H,22,24)(H,23,25)
InChIKeyVYDGOYDZVYWSOK-UHFFFAOYSA-N
XLogP3.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 50833952) is 2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(CC1COc2ccccc2NC1=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is VYDGOYDZVYWSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O3/c19-18(20,21)12-5-7-13(8-6-12)22-16(24)9-11-10-26-15-4-2-1-3-14(15)23-17(11)25/h1-8,11H,9-10H2,(H,22,24)(H,23,25).
What are the key properties of 2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 364.32 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 50833952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).