[3-[2-chloro-5-(4-fluorophenyl)phenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate

C24H25ClFN3O4 — CID 58436519

IUPAC[3-[2-chloro-5-(4-fluorophenyl)phenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate
SMILESCON1CCC2(CC1)NC(=O)C(c1cc(-c3ccc(F)cc3)ccc1Cl)=C2OC(=O)N(C)C
InChIInChI=1S/C24H25ClFN3O4/c1-28(2)23(31)33-21-20(22(30)27-24(21)10-12-29(32-3)13-11-24)18-14-16(6-9-19(18)25)15-4-7-17(26)8-5-15/h4-9,14H,10-13H2,1-3H3,(H,27,30)
InChIKeyPCCUOWLPIYRXRS-UHFFFAOYSA-N
MW473.93 g/mol
LogP4.08
Rot. Bonds4

About [3-[2-chloro-5-(4-fluorophenyl)phenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate

[3-[2-chloro-5-(4-fluorophenyl)phenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate (PubChem CID 58436519) has the molecular formula C24H25ClFN3O4 and a molecular weight of 473.93 g/mol. Its IUPAC name is [3-[2-chloro-5-(4-fluorophenyl)phenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[3-[2-chloro-5-(4-fluorophenyl)phenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate
PubChem CID58436519
Molecular FormulaC24H25ClFN3O4
Molecular Weight473.93 g/mol
Exact Mass473.15
IUPAC Name[3-[2-chloro-5-(4-fluorophenyl)phenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate
SMILESCON1CCC2(CC1)NC(=O)C(c1cc(-c3ccc(F)cc3)ccc1Cl)=C2OC(=O)N(C)C
InChIInChI=1S/C24H25ClFN3O4/c1-28(2)23(31)33-21-20(22(30)27-24(21)10-12-29(32-3)13-11-24)18-14-16(6-9-19(18)25)15-4-7-17(26)8-5-15/h4-9,14H,10-13H2,1-3H3,(H,27,30)
InChIKeyPCCUOWLPIYRXRS-UHFFFAOYSA-N
XLogP4.08
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.93
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[2-chloro-5-(4-fluorophenyl)phenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate?
The IUPAC name of [3-[2-chloro-5-(4-fluorophenyl)phenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate (CID 58436519) is [3-[2-chloro-5-(4-fluorophenyl)phenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [3-[2-chloro-5-(4-fluorophenyl)phenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate?
The canonical SMILES for [3-[2-chloro-5-(4-fluorophenyl)phenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate is CON1CCC2(CC1)NC(=O)C(c1cc(-c3ccc(F)cc3)ccc1Cl)=C2OC(=O)N(C)C.
What is the InChIKey of [3-[2-chloro-5-(4-fluorophenyl)phenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate?
The InChIKey is PCCUOWLPIYRXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN3O4/c1-28(2)23(31)33-21-20(22(30)27-24(21)10-12-29(32-3)13-11-24)18-14-16(6-9-19(18)25)15-4-7-17(26)8-5-15/h4-9,14H,10-13H2,1-3H3,(H,27,30).
What are the key properties of [3-[2-chloro-5-(4-fluorophenyl)phenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate?
[3-[2-chloro-5-(4-fluorophenyl)phenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate has a molecular weight of 473.93 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-chloro-5-(4-fluorophenyl)phenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 58436519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).