N-(3,4-difluorophenyl)-2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide

C19H25F2N3O2 — CID 72849958

IUPACN-(3,4-difluorophenyl)-2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCC(C)CN1CC2(CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)CC1=O
InChIInChI=1S/C19H25F2N3O2/c1-13(2)11-24-12-19(10-17(24)25)5-7-23(8-6-19)18(26)22-14-3-4-15(20)16(21)9-14/h3-4,9,13H,5-8,10-12H2,1-2H3,(H,22,26)
InChIKeyUBQVMKRIQQWELF-UHFFFAOYSA-N
MW365.42 g/mol
LogP3.47
Rot. Bonds3

About N-(3,4-difluorophenyl)-2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide

N-(3,4-difluorophenyl)-2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 72849958) has the molecular formula C19H25F2N3O2 and a molecular weight of 365.42 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID72849958
Molecular FormulaC19H25F2N3O2
Molecular Weight365.42 g/mol
Exact Mass365.19
IUPAC NameN-(3,4-difluorophenyl)-2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCC(C)CN1CC2(CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)CC1=O
InChIInChI=1S/C19H25F2N3O2/c1-13(2)11-24-12-19(10-17(24)25)5-7-23(8-6-19)18(26)22-14-3-4-15(20)16(21)9-14/h3-4,9,13H,5-8,10-12H2,1-2H3,(H,22,26)
InChIKeyUBQVMKRIQQWELF-UHFFFAOYSA-N
XLogP3.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-difluorophenyl)-3-(4-hydroxyphenyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 143644099
8-[(2R)-2-fluoro-2-phenylacetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97139736
8-[2-(4-fluorophenoxy)acetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72936310
N-(3-chloro-4-methylphenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 70755232
(3aR,8aS)-N-(3,4-difluorophenyl)-6-(2-methylpropyl)-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepine-2-carboxamide
CID 155877141
N-(3,4-difluorophenyl)-4-methylpiperazine-1-carboxamide
CID 21019691
N-(2,5-difluorophenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 70764179
(6S)-N-(3,4-difluorophenyl)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
CID 97191054
N-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 90728139
N-(3,4-difluorophenyl)-4-(2-methylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 3928426
8-(2H-benzotriazole-5-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72871236
1,3-dimethyl-6-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrimidine-2,4-dione
CID 72860462

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide (CID 72849958) is N-(3,4-difluorophenyl)-2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide is CC(C)CN1CC2(CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)CC1=O.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is UBQVMKRIQQWELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3O2/c1-13(2)11-24-12-19(10-17(24)25)5-7-23(8-6-19)18(26)22-14-3-4-15(20)16(21)9-14/h3-4,9,13H,5-8,10-12H2,1-2H3,(H,22,26).
What are the key properties of N-(3,4-difluorophenyl)-2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide?
N-(3,4-difluorophenyl)-2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 365.42 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 72849958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).