3-fluoro-4-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide

C13H16FN3O2 — CID 65362331

IUPAC3-fluoro-4-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCCNCC2=O)c(F)c1
InChIInChI=1S/C13H16FN3O2/c14-11-6-9(13(15)19)2-3-10(11)8-17-5-1-4-16-7-12(17)18/h2-3,6,16H,1,4-5,7-8H2,(H2,15,19)
InChIKeyHDVZVBGJSBYMLG-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.25
Rot. Bonds3

About 3-fluoro-4-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide

3-fluoro-4-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide (PubChem CID 65362331) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 3-fluoro-4-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide
PubChem CID65362331
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name3-fluoro-4-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCCNCC2=O)c(F)c1
InChIInChI=1S/C13H16FN3O2/c14-11-6-9(13(15)19)2-3-10(11)8-17-5-1-4-16-7-12(17)18/h2-3,6,16H,1,4-5,7-8H2,(H2,15,19)
InChIKeyHDVZVBGJSBYMLG-UHFFFAOYSA-N
XLogP0.25
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide
CID 65362067
3-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide
CID 65362431
3-fluoro-4-[(2-oxopiperidin-1-yl)methyl]benzenecarbothioamide
CID 28824703
1-[(3,4-difluorophenyl)methyl]-1,4-diazepan-2-one
CID 82930342
1-[(3,5-difluorophenyl)methyl]-1,4-diazepan-2-one
CID 105407900
3-fluoro-4-[(3-piperazin-1-ylazetidin-1-yl)methyl]benzamide
CID 66196185
1-[(4-bromo-2-chlorophenyl)methyl]-1,4-diazepan-2-one
CID 113471437
3-fluoro-4-[(3-methylpiperazin-1-yl)methyl]benzamide
CID 65449051
3-fluoro-4-[(4-oxo-1-pyridinyl)methyl]benzamide
CID 116622136
1-[(2,5-dimethylphenyl)methyl]-1,4-diazepan-2-one
CID 65361855
3-fluoro-4-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]benzamide
CID 62274944
3-fluoro-4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]benzamide
CID 63769254

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide?
The IUPAC name of 3-fluoro-4-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide (CID 65362331) is 3-fluoro-4-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide?
The canonical SMILES for 3-fluoro-4-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide is NC(=O)c1ccc(CN2CCCNCC2=O)c(F)c1.
What is the InChIKey of 3-fluoro-4-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide?
The InChIKey is HDVZVBGJSBYMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c14-11-6-9(13(15)19)2-3-10(11)8-17-5-1-4-16-7-12(17)18/h2-3,6,16H,1,4-5,7-8H2,(H2,15,19).
What are the key properties of 3-fluoro-4-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide?
3-fluoro-4-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide has a molecular weight of 265.29 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide is sourced from PubChem (CID 65362331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).