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

C19H17F3N2O3 — CID 18571570

IUPACN-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-4-(trifluoromethyl)benzamide
SMILESCCN1CCOc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2C1=O
InChIInChI=1S/C19H17F3N2O3/c1-2-24-9-10-27-16-8-7-14(11-15(16)18(24)26)23-17(25)12-3-5-13(6-4-12)19(20,21)22/h3-8,11H,2,9-10H2,1H3,(H,23,25)
InChIKeyCBNHKIJBQNRUTL-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.81
Rot. Bonds3

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

N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-4-(trifluoromethyl)benzamide (PubChem CID 18571570) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-4-(trifluoromethyl)benzamide
PubChem CID18571570
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC NameN-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-4-(trifluoromethyl)benzamide
SMILESCCN1CCOc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2C1=O
InChIInChI=1S/C19H17F3N2O3/c1-2-24-9-10-27-16-8-7-14(11-15(16)18(24)26)23-17(25)12-3-5-13(6-4-12)19(20,21)22/h3-8,11H,2,9-10H2,1H3,(H,23,25)
InChIKeyCBNHKIJBQNRUTL-UHFFFAOYSA-N
XLogP3.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-3,4-difluorobenzamide
CID 40958043
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)benzamide
CID 110412476
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
2-(4-chlorophenoxy)-N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)acetamide
CID 16826909
methyl 2-[(2S,4aS,12aS)-5-methyl-6-oxo-8-[[4-(trifluoromethyl)benzoyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetate
CID 54654654
N-[4-[(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)sulfamoyl]-3-methylphenyl]propanamide
CID 40889500
ethane;4-ethyl-7-methyl-2,3-dihydro-1,4-benzoxazepin-5-one
CID 171523267
N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)propanamide
CID 18571551
5-ethyl-6-oxo-N-[4-(trifluoromethyl)phenyl]benzo[b][1,4]benzoxazepine-3-carboxamide
CID 53132952
N-[(2S,4aS,12aR)-2-(benzamidomethyl)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-(trifluoromethyl)benzamide
CID 121428930
2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetamide
CID 68711163

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-4-(trifluoromethyl)benzamide (CID 18571570) is N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-4-(trifluoromethyl)benzamide is CCN1CCOc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2C1=O.
What is the InChIKey of N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is CBNHKIJBQNRUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c1-2-24-9-10-27-16-8-7-14(11-15(16)18(24)26)23-17(25)12-3-5-13(6-4-12)19(20,21)22/h3-8,11H,2,9-10H2,1H3,(H,23,25).
What are the key properties of N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-4-(trifluoromethyl)benzamide?
N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 378.35 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 18571570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).