2-(4-chlorophenoxy)-N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)acetamide

C19H19ClN2O4 — CID 16826909

IUPAC2-(4-chlorophenoxy)-N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)acetamide
SMILESCCN1CCOc2ccc(NC(=O)COc3ccc(Cl)cc3)cc2C1=O
InChIInChI=1S/C19H19ClN2O4/c1-2-22-9-10-25-17-8-5-14(11-16(17)19(22)24)21-18(23)12-26-15-6-3-13(20)4-7-15/h3-8,11H,2,9-10,12H2,1H3,(H,21,23)
InChIKeySENIEASTWJOGJJ-UHFFFAOYSA-N
MW374.82 g/mol
LogP3.21
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)acetamide

2-(4-chlorophenoxy)-N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)acetamide (PubChem CID 16826909) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)acetamide
PubChem CID16826909
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Name2-(4-chlorophenoxy)-N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)acetamide
SMILESCCN1CCOc2ccc(NC(=O)COc3ccc(Cl)cc3)cc2C1=O
InChIInChI=1S/C19H19ClN2O4/c1-2-22-9-10-25-17-8-5-14(11-16(17)19(22)24)21-18(23)12-26-15-6-3-13(20)4-7-15/h3-8,11H,2,9-10,12H2,1H3,(H,21,23)
InChIKeySENIEASTWJOGJJ-UHFFFAOYSA-N
XLogP3.21
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-phenoxyacetamide
CID 16826908
N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-(4-methoxyphenyl)acetamide
CID 16826905
N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-phenoxyacetamide
CID 16826896
N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-3,4-difluorobenzamide
CID 40958043
N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-4-(trifluoromethyl)benzamide
CID 18571570
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenoxy)acetamide
CID 732521
N-[4-[(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)sulfamoyl]-3-methylphenyl]propanamide
CID 40889500
methyl 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate
CID 7328431
N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)propanamide
CID 18571551
2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 6491422
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methoxyphenoxy)acetamide
CID 17439785
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-ethylphenoxy)acetamide
CID 26712228

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)acetamide (CID 16826909) is 2-(4-chlorophenoxy)-N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)acetamide is CCN1CCOc2ccc(NC(=O)COc3ccc(Cl)cc3)cc2C1=O.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)acetamide?
The InChIKey is SENIEASTWJOGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-2-22-9-10-25-17-8-5-14(11-16(17)19(22)24)21-18(23)12-26-15-6-3-13(20)4-7-15/h3-8,11H,2,9-10,12H2,1H3,(H,21,23).
What are the key properties of 2-(4-chlorophenoxy)-N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)acetamide?
2-(4-chlorophenoxy)-N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)acetamide has a molecular weight of 374.82 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)acetamide is sourced from PubChem (CID 16826909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).