2-[2-[(3,4-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]propanamide

C18H23F2N3O2 — CID 70721948

IUPAC2-[2-[(3,4-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]propanamide
SMILESCC(C(N)=O)N1CCC2(CC1)CC(=O)N(Cc1ccc(F)c(F)c1)C2
InChIInChI=1S/C18H23F2N3O2/c1-12(17(21)25)22-6-4-18(5-7-22)9-16(24)23(11-18)10-13-2-3-14(19)15(20)8-13/h2-3,8,12H,4-7,9-11H2,1H3,(H2,21,25)
InChIKeyFNIRFNIHKYYFML-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.65
Rot. Bonds4

About 2-[2-[(3,4-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]propanamide

2-[2-[(3,4-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]propanamide (PubChem CID 70721948) has the molecular formula C18H23F2N3O2 and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-[2-[(3,4-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]propanamide.

Molecular Properties

Compound Name2-[2-[(3,4-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]propanamide
PubChem CID70721948
Molecular FormulaC18H23F2N3O2
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC Name2-[2-[(3,4-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]propanamide
SMILESCC(C(N)=O)N1CCC2(CC1)CC(=O)N(Cc1ccc(F)c(F)c1)C2
InChIInChI=1S/C18H23F2N3O2/c1-12(17(21)25)22-6-4-18(5-7-22)9-16(24)23(11-18)10-13-2-3-14(19)15(20)8-13/h2-3,8,12H,4-7,9-11H2,1H3,(H2,21,25)
InChIKeyFNIRFNIHKYYFML-UHFFFAOYSA-N
XLogP1.65
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,4-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]propanamide?
The IUPAC name of 2-[2-[(3,4-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]propanamide (CID 70721948) is 2-[2-[(3,4-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]propanamide.
What is the SMILES notation for 2-[2-[(3,4-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]propanamide?
The canonical SMILES for 2-[2-[(3,4-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]propanamide is CC(C(N)=O)N1CCC2(CC1)CC(=O)N(Cc1ccc(F)c(F)c1)C2.
What is the InChIKey of 2-[2-[(3,4-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]propanamide?
The InChIKey is FNIRFNIHKYYFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O2/c1-12(17(21)25)22-6-4-18(5-7-22)9-16(24)23(11-18)10-13-2-3-14(19)15(20)8-13/h2-3,8,12H,4-7,9-11H2,1H3,(H2,21,25).
What are the key properties of 2-[2-[(3,4-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]propanamide?
2-[2-[(3,4-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]propanamide has a molecular weight of 351.40 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,4-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]propanamide is sourced from PubChem (CID 70721948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).