(1S,5R)-3-(4-fluorophenyl)-1-methyl-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione

C24H18FNO2 — CID 98600968

IUPAC(1S,5R)-3-(4-fluorophenyl)-1-methyl-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESC[C@]12C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H18FNO2/c1-23-20(21(27)26(22(23)28)19-14-12-18(25)13-15-19)24(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,20H,1H3/t20-,23+/m0/s1
InChIKeyDSNOHHCJZFSHSZ-NZQKXSOJSA-N
MW371.41 g/mol
LogP4.32
Rot. Bonds3

About (1S,5R)-3-(4-fluorophenyl)-1-methyl-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione

(1S,5R)-3-(4-fluorophenyl)-1-methyl-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 98600968) has the molecular formula C24H18FNO2 and a molecular weight of 371.41 g/mol. Its IUPAC name is (1S,5R)-3-(4-fluorophenyl)-1-methyl-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name(1S,5R)-3-(4-fluorophenyl)-1-methyl-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID98600968
Molecular FormulaC24H18FNO2
Molecular Weight371.41 g/mol
Exact Mass371.13
IUPAC Name(1S,5R)-3-(4-fluorophenyl)-1-methyl-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESC[C@]12C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H18FNO2/c1-23-20(21(27)26(22(23)28)19-14-12-18(25)13-15-19)24(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,20H,1H3/t20-,23+/m0/s1
InChIKeyDSNOHHCJZFSHSZ-NZQKXSOJSA-N
XLogP4.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-(4-fluorophenyl)-1-methyl-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of (1S,5R)-3-(4-fluorophenyl)-1-methyl-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 98600968) is (1S,5R)-3-(4-fluorophenyl)-1-methyl-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for (1S,5R)-3-(4-fluorophenyl)-1-methyl-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for (1S,5R)-3-(4-fluorophenyl)-1-methyl-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione is C[C@]12C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1C2(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S,5R)-3-(4-fluorophenyl)-1-methyl-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is DSNOHHCJZFSHSZ-NZQKXSOJSA-N. The full InChI is InChI=1S/C24H18FNO2/c1-23-20(21(27)26(22(23)28)19-14-12-18(25)13-15-19)24(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,20H,1H3/t20-,23+/m0/s1.
What are the key properties of (1S,5R)-3-(4-fluorophenyl)-1-methyl-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
(1S,5R)-3-(4-fluorophenyl)-1-methyl-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 371.41 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-(4-fluorophenyl)-1-methyl-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 98600968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).