1-[1-(2-fluorophenyl)ethyl]-1,4-diazepane-2,5-dione

C13H15FN2O2 — CID 64965938

IUPAC1-[1-(2-fluorophenyl)ethyl]-1,4-diazepane-2,5-dione
SMILESCC(c1ccccc1F)N1CCC(=O)NCC1=O
InChIInChI=1S/C13H15FN2O2/c1-9(10-4-2-3-5-11(10)14)16-7-6-12(17)15-8-13(16)18/h2-5,9H,6-8H2,1H3,(H,15,17)
InChIKeyBZXBJLMWRHQVTN-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.24
Rot. Bonds2

About 1-[1-(2-fluorophenyl)ethyl]-1,4-diazepane-2,5-dione

1-[1-(2-fluorophenyl)ethyl]-1,4-diazepane-2,5-dione (PubChem CID 64965938) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)ethyl]-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)ethyl]-1,4-diazepane-2,5-dione
PubChem CID64965938
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name1-[1-(2-fluorophenyl)ethyl]-1,4-diazepane-2,5-dione
SMILESCC(c1ccccc1F)N1CCC(=O)NCC1=O
InChIInChI=1S/C13H15FN2O2/c1-9(10-4-2-3-5-11(10)14)16-7-6-12(17)15-8-13(16)18/h2-5,9H,6-8H2,1H3,(H,15,17)
InChIKeyBZXBJLMWRHQVTN-UHFFFAOYSA-N
XLogP1.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-fluorophenyl)ethyl]imidazolidin-2-one
CID 115370506
1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-4-one
CID 167714144
3-butan-2-yl-1-[1-(2-fluorophenyl)ethyl]piperazine-2,5-dione
CID 64966056
3-tert-butyl-1-[1-(2-fluorophenyl)ethyl]piperazine-2,5-dione
CID 64965994
1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidin-4-one
CID 54975170
1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4-diazepane-2,5-dione
CID 64973322
1-[1-(2-fluorophenyl)ethyl]-2-sulfanylidenepyrimidin-4-one
CID 62403616
2-[1-(2-fluorophenyl)ethyl]-6-(3-methoxyphenyl)-3,4-dihydroisoquinolin-1-one
CID 175506860
1-[1-(2-fluorophenyl)ethyl]-1,4-diazepane
CID 3818846
1-(2,3,4-trifluorophenyl)-1,4-diazepane-2,5-dione
CID 64956628
1-[3-fluoro-2-(1-hydroxyethyl)phenyl]-1,4-diazepan-5-one
CID 55133341
1-(1-thiophen-2-ylbutyl)-1,4-diazepane-2,5-dione
CID 64966347

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)ethyl]-1,4-diazepane-2,5-dione?
The IUPAC name of 1-[1-(2-fluorophenyl)ethyl]-1,4-diazepane-2,5-dione (CID 64965938) is 1-[1-(2-fluorophenyl)ethyl]-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-[1-(2-fluorophenyl)ethyl]-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-[1-(2-fluorophenyl)ethyl]-1,4-diazepane-2,5-dione is CC(c1ccccc1F)N1CCC(=O)NCC1=O.
What is the InChIKey of 1-[1-(2-fluorophenyl)ethyl]-1,4-diazepane-2,5-dione?
The InChIKey is BZXBJLMWRHQVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-9(10-4-2-3-5-11(10)14)16-7-6-12(17)15-8-13(16)18/h2-5,9H,6-8H2,1H3,(H,15,17).
What are the key properties of 1-[1-(2-fluorophenyl)ethyl]-1,4-diazepane-2,5-dione?
1-[1-(2-fluorophenyl)ethyl]-1,4-diazepane-2,5-dione has a molecular weight of 250.27 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)ethyl]-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64965938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).