N-(4-benzyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-4-chlorobenzamide

C23H19ClN2O3 — CID 42801687

IUPACN-(4-benzyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-4-chlorobenzamide
SMILESO=C(Nc1ccc2c(c1)CN(Cc1ccccc1)C(=O)CO2)c1ccc(Cl)cc1
InChIInChI=1S/C23H19ClN2O3/c24-19-8-6-17(7-9-19)23(28)25-20-10-11-21-18(12-20)14-26(22(27)15-29-21)13-16-4-2-1-3-5-16/h1-12H,13-15H2,(H,25,28)
InChIKeyCHJZKNLIIJCYBK-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.51
Rot. Bonds4

About N-(4-benzyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-4-chlorobenzamide

N-(4-benzyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-4-chlorobenzamide (PubChem CID 42801687) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is N-(4-benzyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-(4-benzyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-4-chlorobenzamide
PubChem CID42801687
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC NameN-(4-benzyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-4-chlorobenzamide
SMILESO=C(Nc1ccc2c(c1)CN(Cc1ccccc1)C(=O)CO2)c1ccc(Cl)cc1
InChIInChI=1S/C23H19ClN2O3/c24-19-8-6-17(7-9-19)23(28)25-20-10-11-21-18(12-20)14-26(22(27)15-29-21)13-16-4-2-1-3-5-16/h1-12H,13-15H2,(H,25,28)
InChIKeyCHJZKNLIIJCYBK-UHFFFAOYSA-N
XLogP4.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-N-(4-ethylphenyl)-3-oxo-5H-1,4-benzoxazepine-7-carboxamide
CID 91894734
N-(4-benzyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-2-(4-fluorophenyl)acetamide
CID 42801683
N-[4-[(3-methoxyphenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-nitrobenzamide
CID 42804167
3,5-dimethoxy-N-[3-oxo-4-(2-phenylethyl)-5H-1,4-benzoxazepin-7-yl]benzamide
CID 42801703
4-benzyl-N-(furan-2-ylmethyl)-3-oxo-5H-1,4-benzoxazepine-7-carboxamide
CID 91894716
4-benzyl-5H-1,4-benzoxazepin-3-one
CID 22665722
4-(2-methoxyethyl)-3-oxo-N-phenyl-5H-1,4-benzoxazepine-7-carboxamide
CID 91894681
N-[3-oxo-4-(2-phenylethyl)-5H-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide
CID 42801701
4-chloro-N-[2-methyl-3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepin-7-yl]benzamide
CID 42801510
N-[(2R)-4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-methoxybenzamide
CID 93121582
3,4-dichloro-N-[3-oxo-4-[(1R)-1-phenylethyl]-5H-1,4-benzoxazepin-7-yl]benzamide
CID 93124030
benzyl N-[4-(2-methylpropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]carbamate
CID 42801680

Frequently Asked Questions

What is the IUPAC name of N-(4-benzyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-4-chlorobenzamide?
The IUPAC name of N-(4-benzyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-4-chlorobenzamide (CID 42801687) is N-(4-benzyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-4-chlorobenzamide.
What is the SMILES notation for N-(4-benzyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-4-chlorobenzamide?
The canonical SMILES for N-(4-benzyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-4-chlorobenzamide is O=C(Nc1ccc2c(c1)CN(Cc1ccccc1)C(=O)CO2)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-benzyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-4-chlorobenzamide?
The InChIKey is CHJZKNLIIJCYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c24-19-8-6-17(7-9-19)23(28)25-20-10-11-21-18(12-20)14-26(22(27)15-29-21)13-16-4-2-1-3-5-16/h1-12H,13-15H2,(H,25,28).
What are the key properties of N-(4-benzyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-4-chlorobenzamide?
N-(4-benzyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-4-chlorobenzamide has a molecular weight of 406.87 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-4-chlorobenzamide is sourced from PubChem (CID 42801687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).