5-cyclopropyl-8-fluoro-1-(4-fluorobenzoyl)-3,6-dihydro-2H-1,5-benzodiazocin-4-one

C20H18F2N2O2 — CID 70655814

IUPAC5-cyclopropyl-8-fluoro-1-(4-fluorobenzoyl)-3,6-dihydro-2H-1,5-benzodiazocin-4-one
SMILESO=C(c1ccc(F)cc1)N1CCC(=O)N(C2CC2)Cc2cc(F)ccc21
InChIInChI=1S/C20H18F2N2O2/c21-15-3-1-13(2-4-15)20(26)23-10-9-19(25)24(17-6-7-17)12-14-11-16(22)5-8-18(14)23/h1-5,8,11,17H,6-7,9-10,12H2
InChIKeyRVUGZILGQRTSIY-UHFFFAOYSA-N
MW356.37 g/mol
LogP3.51
Rot. Bonds2

About 5-cyclopropyl-8-fluoro-1-(4-fluorobenzoyl)-3,6-dihydro-2H-1,5-benzodiazocin-4-one

5-cyclopropyl-8-fluoro-1-(4-fluorobenzoyl)-3,6-dihydro-2H-1,5-benzodiazocin-4-one (PubChem CID 70655814) has the molecular formula C20H18F2N2O2 and a molecular weight of 356.37 g/mol. Its IUPAC name is 5-cyclopropyl-8-fluoro-1-(4-fluorobenzoyl)-3,6-dihydro-2H-1,5-benzodiazocin-4-one.

Molecular Properties

Compound Name5-cyclopropyl-8-fluoro-1-(4-fluorobenzoyl)-3,6-dihydro-2H-1,5-benzodiazocin-4-one
PubChem CID70655814
Molecular FormulaC20H18F2N2O2
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name5-cyclopropyl-8-fluoro-1-(4-fluorobenzoyl)-3,6-dihydro-2H-1,5-benzodiazocin-4-one
SMILESO=C(c1ccc(F)cc1)N1CCC(=O)N(C2CC2)Cc2cc(F)ccc21
InChIInChI=1S/C20H18F2N2O2/c21-15-3-1-13(2-4-15)20(26)23-10-9-19(25)24(17-6-7-17)12-14-11-16(22)5-8-18(14)23/h1-5,8,11,17H,6-7,9-10,12H2
InChIKeyRVUGZILGQRTSIY-UHFFFAOYSA-N
XLogP3.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-8-fluoro-1-(4-fluorobenzoyl)-3,6-dihydro-2H-1,5-benzodiazocin-4-one?
The IUPAC name of 5-cyclopropyl-8-fluoro-1-(4-fluorobenzoyl)-3,6-dihydro-2H-1,5-benzodiazocin-4-one (CID 70655814) is 5-cyclopropyl-8-fluoro-1-(4-fluorobenzoyl)-3,6-dihydro-2H-1,5-benzodiazocin-4-one.
What is the SMILES notation for 5-cyclopropyl-8-fluoro-1-(4-fluorobenzoyl)-3,6-dihydro-2H-1,5-benzodiazocin-4-one?
The canonical SMILES for 5-cyclopropyl-8-fluoro-1-(4-fluorobenzoyl)-3,6-dihydro-2H-1,5-benzodiazocin-4-one is O=C(c1ccc(F)cc1)N1CCC(=O)N(C2CC2)Cc2cc(F)ccc21.
What is the InChIKey of 5-cyclopropyl-8-fluoro-1-(4-fluorobenzoyl)-3,6-dihydro-2H-1,5-benzodiazocin-4-one?
The InChIKey is RVUGZILGQRTSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O2/c21-15-3-1-13(2-4-15)20(26)23-10-9-19(25)24(17-6-7-17)12-14-11-16(22)5-8-18(14)23/h1-5,8,11,17H,6-7,9-10,12H2.
What are the key properties of 5-cyclopropyl-8-fluoro-1-(4-fluorobenzoyl)-3,6-dihydro-2H-1,5-benzodiazocin-4-one?
5-cyclopropyl-8-fluoro-1-(4-fluorobenzoyl)-3,6-dihydro-2H-1,5-benzodiazocin-4-one has a molecular weight of 356.37 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-8-fluoro-1-(4-fluorobenzoyl)-3,6-dihydro-2H-1,5-benzodiazocin-4-one is sourced from PubChem (CID 70655814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).