9-[(4-bromo-2,6-difluorophenyl)methyl]-4-cyclopropyl-1-oxa-4,9-diazaspiro[5.5]undecane-3,10-dione

C18H19BrF2N2O3 — CID 89486709

IUPAC9-[(4-bromo-2,6-difluorophenyl)methyl]-4-cyclopropyl-1-oxa-4,9-diazaspiro[5.5]undecane-3,10-dione
SMILESO=C1CC2(CCN1Cc1c(F)cc(Br)cc1F)CN(C1CC1)C(=O)CO2
InChIInChI=1S/C18H19BrF2N2O3/c19-11-5-14(20)13(15(21)6-11)8-22-4-3-18(7-16(22)24)10-23(12-1-2-12)17(25)9-26-18/h5-6,12H,1-4,7-10H2
InChIKeyCTSQBBLAFURCJO-UHFFFAOYSA-N
MW429.26 g/mol
LogP2.61
Rot. Bonds3

About 9-[(4-bromo-2,6-difluorophenyl)methyl]-4-cyclopropyl-1-oxa-4,9-diazaspiro[5.5]undecane-3,10-dione

9-[(4-bromo-2,6-difluorophenyl)methyl]-4-cyclopropyl-1-oxa-4,9-diazaspiro[5.5]undecane-3,10-dione (PubChem CID 89486709) has the molecular formula C18H19BrF2N2O3 and a molecular weight of 429.26 g/mol. Its IUPAC name is 9-[(4-bromo-2,6-difluorophenyl)methyl]-4-cyclopropyl-1-oxa-4,9-diazaspiro[5.5]undecane-3,10-dione.

Molecular Properties

Compound Name9-[(4-bromo-2,6-difluorophenyl)methyl]-4-cyclopropyl-1-oxa-4,9-diazaspiro[5.5]undecane-3,10-dione
PubChem CID89486709
Molecular FormulaC18H19BrF2N2O3
Molecular Weight429.26 g/mol
Exact Mass428.05
IUPAC Name9-[(4-bromo-2,6-difluorophenyl)methyl]-4-cyclopropyl-1-oxa-4,9-diazaspiro[5.5]undecane-3,10-dione
SMILESO=C1CC2(CCN1Cc1c(F)cc(Br)cc1F)CN(C1CC1)C(=O)CO2
InChIInChI=1S/C18H19BrF2N2O3/c19-11-5-14(20)13(15(21)6-11)8-22-4-3-18(7-16(22)24)10-23(12-1-2-12)17(25)9-26-18/h5-6,12H,1-4,7-10H2
InChIKeyCTSQBBLAFURCJO-UHFFFAOYSA-N
XLogP2.61
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.26
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[(4-bromo-2,6-difluorophenyl)methyl]-4-cyclopropyl-1-oxa-4,9-diazaspiro[5.5]undecane-3,10-dione?
The IUPAC name of 9-[(4-bromo-2,6-difluorophenyl)methyl]-4-cyclopropyl-1-oxa-4,9-diazaspiro[5.5]undecane-3,10-dione (CID 89486709) is 9-[(4-bromo-2,6-difluorophenyl)methyl]-4-cyclopropyl-1-oxa-4,9-diazaspiro[5.5]undecane-3,10-dione.
What is the SMILES notation for 9-[(4-bromo-2,6-difluorophenyl)methyl]-4-cyclopropyl-1-oxa-4,9-diazaspiro[5.5]undecane-3,10-dione?
The canonical SMILES for 9-[(4-bromo-2,6-difluorophenyl)methyl]-4-cyclopropyl-1-oxa-4,9-diazaspiro[5.5]undecane-3,10-dione is O=C1CC2(CCN1Cc1c(F)cc(Br)cc1F)CN(C1CC1)C(=O)CO2.
What is the InChIKey of 9-[(4-bromo-2,6-difluorophenyl)methyl]-4-cyclopropyl-1-oxa-4,9-diazaspiro[5.5]undecane-3,10-dione?
The InChIKey is CTSQBBLAFURCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrF2N2O3/c19-11-5-14(20)13(15(21)6-11)8-22-4-3-18(7-16(22)24)10-23(12-1-2-12)17(25)9-26-18/h5-6,12H,1-4,7-10H2.
What are the key properties of 9-[(4-bromo-2,6-difluorophenyl)methyl]-4-cyclopropyl-1-oxa-4,9-diazaspiro[5.5]undecane-3,10-dione?
9-[(4-bromo-2,6-difluorophenyl)methyl]-4-cyclopropyl-1-oxa-4,9-diazaspiro[5.5]undecane-3,10-dione has a molecular weight of 429.26 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-bromo-2,6-difluorophenyl)methyl]-4-cyclopropyl-1-oxa-4,9-diazaspiro[5.5]undecane-3,10-dione is sourced from PubChem (CID 89486709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).