4-fluoro-N-[3-oxo-3-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]propyl]benzamide

C17H20FN3O4 — CID 155919214

IUPAC4-fluoro-N-[3-oxo-3-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]propyl]benzamide
SMILESO=C(NCCC(=O)N1C[C@H]2COC[C@@H](C1)C(=O)N2)c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O4/c18-13-3-1-11(2-4-13)16(23)19-6-5-15(22)21-7-12-9-25-10-14(8-21)20-17(12)24/h1-4,12,14H,5-10H2,(H,19,23)(H,20,24)/t12-,14+/m1/s1
InChIKeyKQJPYPIVEFBVIR-OCCSQVGLSA-N
MW349.36 g/mol
LogP-0.08
Rot. Bonds4

About 4-fluoro-N-[3-oxo-3-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]propyl]benzamide

4-fluoro-N-[3-oxo-3-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]propyl]benzamide (PubChem CID 155919214) has the molecular formula C17H20FN3O4 and a molecular weight of 349.36 g/mol. Its IUPAC name is 4-fluoro-N-[3-oxo-3-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]propyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-oxo-3-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]propyl]benzamide
PubChem CID155919214
Molecular FormulaC17H20FN3O4
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC Name4-fluoro-N-[3-oxo-3-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]propyl]benzamide
SMILESO=C(NCCC(=O)N1C[C@H]2COC[C@@H](C1)C(=O)N2)c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O4/c18-13-3-1-11(2-4-13)16(23)19-6-5-15(22)21-7-12-9-25-10-14(8-21)20-17(12)24/h1-4,12,14H,5-10H2,(H,19,23)(H,20,24)/t12-,14+/m1/s1
InChIKeyKQJPYPIVEFBVIR-OCCSQVGLSA-N
XLogP-0.08
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-[3-oxo-3-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]propyl]benzamide with MolForge

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Related Compounds

4-oxo-4-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-N-phenylbutanamide
CID 157020340
4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 46577163
4-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 47250876
4-fluoro-N-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide
CID 119489602
N-[3-[(1R,5S)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-oxopropyl]-4-fluorobenzamide
CID 56887303
(1S,5R)-7-[(4-fluorophenyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 135104810
4-fluoro-N-[3-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzamide
CID 70755119
(1S,5R)-7-[3-(3,4,5-trimethoxyphenyl)propanoyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155505978
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-4-fluorobenzamide
CID 110371002
4-fluoro-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]benzamide
CID 94460063
4-fluoro-N-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]benzamide
CID 110903684
1-[3-[(4-fluorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxamide
CID 75592631

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-oxo-3-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]propyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-oxo-3-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]propyl]benzamide (CID 155919214) is 4-fluoro-N-[3-oxo-3-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]propyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-oxo-3-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]propyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-oxo-3-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]propyl]benzamide is O=C(NCCC(=O)N1C[C@H]2COC[C@@H](C1)C(=O)N2)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[3-oxo-3-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]propyl]benzamide?
The InChIKey is KQJPYPIVEFBVIR-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H20FN3O4/c18-13-3-1-11(2-4-13)16(23)19-6-5-15(22)21-7-12-9-25-10-14(8-21)20-17(12)24/h1-4,12,14H,5-10H2,(H,19,23)(H,20,24)/t12-,14+/m1/s1.
What are the key properties of 4-fluoro-N-[3-oxo-3-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]propyl]benzamide?
4-fluoro-N-[3-oxo-3-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]propyl]benzamide has a molecular weight of 349.36 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-oxo-3-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]propyl]benzamide is sourced from PubChem (CID 155919214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).