1,3-difluorobenzene;[2-(pyridin-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl] 2-(6,8-dimethyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)acetate

C33H36F2N4O4 — CID 143869662

IUPAC1,3-difluorobenzene;[2-(pyridin-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl] 2-(6,8-dimethyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)acetate
SMILESCC1CN(C)C2(CCCC2)C(=O)N1CC(=O)Oc1ccc2c(c1)CC(C(=O)Nc1ccccn1)C2.Fc1cccc(F)c1
InChIInChI=1S/C27H32N4O4.C6H4F2/c1-18-16-30(2)27(10-4-5-11-27)26(34)31(18)17-24(32)35-22-9-8-19-13-21(14-20(19)15-22)25(33)29-23-7-3-6-12-28-23;7-5-2-1-3-6(8)4-5/h3,6-9,12,15,18,21H,4-5,10-11,13-14,16-17H2,1-2H3,(H,28,29,33);1-4H
InChIKeyUPNDGFJASMZARG-UHFFFAOYSA-N
MW590.67 g/mol
LogP4.78
Rot. Bonds5

About 1,3-difluorobenzene;[2-(pyridin-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl] 2-(6,8-dimethyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)acetate

1,3-difluorobenzene;[2-(pyridin-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl] 2-(6,8-dimethyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)acetate (PubChem CID 143869662) has the molecular formula C33H36F2N4O4 and a molecular weight of 590.67 g/mol. Its IUPAC name is 1,3-difluorobenzene;[2-(pyridin-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl] 2-(6,8-dimethyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)acetate.

Molecular Properties

Compound Name1,3-difluorobenzene;[2-(pyridin-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl] 2-(6,8-dimethyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)acetate
PubChem CID143869662
Molecular FormulaC33H36F2N4O4
Molecular Weight590.67 g/mol
Exact Mass590.27
IUPAC Name1,3-difluorobenzene;[2-(pyridin-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl] 2-(6,8-dimethyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)acetate
SMILESCC1CN(C)C2(CCCC2)C(=O)N1CC(=O)Oc1ccc2c(c1)CC(C(=O)Nc1ccccn1)C2.Fc1cccc(F)c1
InChIInChI=1S/C27H32N4O4.C6H4F2/c1-18-16-30(2)27(10-4-5-11-27)26(34)31(18)17-24(32)35-22-9-8-19-13-21(14-20(19)15-22)25(33)29-23-7-3-6-12-28-23;7-5-2-1-3-6(8)4-5/h3,6-9,12,15,18,21H,4-5,10-11,13-14,16-17H2,1-2H3,(H,28,29,33);1-4H
InChIKeyUPNDGFJASMZARG-UHFFFAOYSA-N
XLogP4.78
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.67
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1,3-difluorobenzene;[2-(pyridin-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl] 2-(6,8-dimethyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluorobenzene;[2-(pyridin-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl] 2-(6,8-dimethyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)acetate?
The IUPAC name of 1,3-difluorobenzene;[2-(pyridin-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl] 2-(6,8-dimethyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)acetate (CID 143869662) is 1,3-difluorobenzene;[2-(pyridin-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl] 2-(6,8-dimethyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)acetate.
What is the SMILES notation for 1,3-difluorobenzene;[2-(pyridin-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl] 2-(6,8-dimethyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)acetate?
The canonical SMILES for 1,3-difluorobenzene;[2-(pyridin-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl] 2-(6,8-dimethyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)acetate is CC1CN(C)C2(CCCC2)C(=O)N1CC(=O)Oc1ccc2c(c1)CC(C(=O)Nc1ccccn1)C2.Fc1cccc(F)c1.
What is the InChIKey of 1,3-difluorobenzene;[2-(pyridin-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl] 2-(6,8-dimethyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)acetate?
The InChIKey is UPNDGFJASMZARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4.C6H4F2/c1-18-16-30(2)27(10-4-5-11-27)26(34)31(18)17-24(32)35-22-9-8-19-13-21(14-20(19)15-22)25(33)29-23-7-3-6-12-28-23;7-5-2-1-3-6(8)4-5/h3,6-9,12,15,18,21H,4-5,10-11,13-14,16-17H2,1-2H3,(H,28,29,33);1-4H.
What are the key properties of 1,3-difluorobenzene;[2-(pyridin-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl] 2-(6,8-dimethyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)acetate?
1,3-difluorobenzene;[2-(pyridin-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl] 2-(6,8-dimethyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)acetate has a molecular weight of 590.67 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluorobenzene;[2-(pyridin-2-ylcarbamoyl)-2,3-dihydro-1H-inden-5-yl] 2-(6,8-dimethyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)acetate is sourced from PubChem (CID 143869662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).