3-fluoro-N-[2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)ethyl]benzamide

C18H17FN2O3 — CID 110790137

IUPAC3-fluoro-N-[2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)ethyl]benzamide
SMILESO=C1CCOc2ccc(CCNC(=O)c3cccc(F)c3)cc2N1
InChIInChI=1S/C18H17FN2O3/c19-14-3-1-2-13(11-14)18(23)20-8-6-12-4-5-16-15(10-12)21-17(22)7-9-24-16/h1-5,10-11H,6-9H2,(H,20,23)(H,21,22)
InChIKeyGSHIKWACERBEPH-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.52
Rot. Bonds4

About 3-fluoro-N-[2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)ethyl]benzamide

3-fluoro-N-[2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)ethyl]benzamide (PubChem CID 110790137) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 3-fluoro-N-[2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)ethyl]benzamide
PubChem CID110790137
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name3-fluoro-N-[2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)ethyl]benzamide
SMILESO=C1CCOc2ccc(CCNC(=O)c3cccc(F)c3)cc2N1
InChIInChI=1S/C18H17FN2O3/c19-14-3-1-2-13(11-14)18(23)20-8-6-12-4-5-16-15(10-12)21-17(22)7-9-24-16/h1-5,10-11H,6-9H2,(H,20,23)(H,21,22)
InChIKeyGSHIKWACERBEPH-UHFFFAOYSA-N
XLogP2.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
CID 110764009
N-[2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)ethyl]propanamide
CID 110790118
3-methyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide
CID 110789899
2-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 110789945
N-[(4-fluorophenyl)methyl]-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)acetamide
CID 110770729
2-chloro-6-fluoro-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]benzamide
CID 110783795
3-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide
CID 110789939
N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyridine-3-carboxamide
CID 110789922
N-(2-methylsulfanylethyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
CID 138742180
N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110795833
N-[(4-chlorophenyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
CID 110763970
4-methyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide
CID 110789900

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)ethyl]benzamide (CID 110790137) is 3-fluoro-N-[2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)ethyl]benzamide is O=C1CCOc2ccc(CCNC(=O)c3cccc(F)c3)cc2N1.
What is the InChIKey of 3-fluoro-N-[2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)ethyl]benzamide?
The InChIKey is GSHIKWACERBEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c19-14-3-1-2-13(11-14)18(23)20-8-6-12-4-5-16-15(10-12)21-17(22)7-9-24-16/h1-5,10-11H,6-9H2,(H,20,23)(H,21,22).
What are the key properties of 3-fluoro-N-[2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)ethyl]benzamide?
3-fluoro-N-[2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)ethyl]benzamide has a molecular weight of 328.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)ethyl]benzamide is sourced from PubChem (CID 110790137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).