N-(7-fluoro-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)butanamide

C14H16FNO3 — CID 110478649

IUPACN-(7-fluoro-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)butanamide
SMILESCCCC(=O)NC1CCOc2ccc(F)cc2C1=O
InChIInChI=1S/C14H16FNO3/c1-2-3-13(17)16-11-6-7-19-12-5-4-9(15)8-10(12)14(11)18/h4-5,8,11H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyJUCCLPBXQUHQQB-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.08
Rot. Bonds3

About N-(7-fluoro-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)butanamide

N-(7-fluoro-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)butanamide (PubChem CID 110478649) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is N-(7-fluoro-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)butanamide.

Molecular Properties

Compound NameN-(7-fluoro-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)butanamide
PubChem CID110478649
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC NameN-(7-fluoro-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)butanamide
SMILESCCCC(=O)NC1CCOc2ccc(F)cc2C1=O
InChIInChI=1S/C14H16FNO3/c1-2-3-13(17)16-11-6-7-19-12-5-4-9(15)8-10(12)14(11)18/h4-5,8,11H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyJUCCLPBXQUHQQB-UHFFFAOYSA-N
XLogP2.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(7-fluoro-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)butanamide
CID 110479945
N-(7-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)pentanamide
CID 110479488
1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-propylurea
CID 110750885
2-methyl-N-(7-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)propanamide
CID 110478514
2,2-dimethyl-N-(7-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)propanamide
CID 110479668
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-imidazol-1-ylpropanamide
CID 166200780
1-(6-fluoro-4-oxo-2,3-dihydrochromen-3-yl)propane-1,2-dione
CID 58859533
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide
CID 110751259
N-(3,4-dihydro-2H-chromen-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 18164395
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propane-1-sulfonamide
CID 110751326
N-(2-oxooxolan-3-yl)pentanamide
CID 11513883
3-methoxy-N-(9-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)propanamide
CID 110480512

Frequently Asked Questions

What is the IUPAC name of N-(7-fluoro-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)butanamide?
The IUPAC name of N-(7-fluoro-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)butanamide (CID 110478649) is N-(7-fluoro-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)butanamide.
What is the SMILES notation for N-(7-fluoro-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)butanamide?
The canonical SMILES for N-(7-fluoro-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)butanamide is CCCC(=O)NC1CCOc2ccc(F)cc2C1=O.
What is the InChIKey of N-(7-fluoro-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)butanamide?
The InChIKey is JUCCLPBXQUHQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-2-3-13(17)16-11-6-7-19-12-5-4-9(15)8-10(12)14(11)18/h4-5,8,11H,2-3,6-7H2,1H3,(H,16,17).
What are the key properties of N-(7-fluoro-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)butanamide?
N-(7-fluoro-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)butanamide has a molecular weight of 265.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)butanamide is sourced from PubChem (CID 110478649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).