(5S)-2-(3,5-difluorophenyl)-7,7-difluoro-1-oxo-2-azaspiro[4.5]decane-3-carboxamide

C16H16F4N2O2 — CID 173465845

IUPAC(5S)-2-(3,5-difluorophenyl)-7,7-difluoro-1-oxo-2-azaspiro[4.5]decane-3-carboxamide
SMILESNC(=O)C1C[C@]2(CCCC(F)(F)C2)C(=O)N1c1cc(F)cc(F)c1
InChIInChI=1S/C16H16F4N2O2/c17-9-4-10(18)6-11(5-9)22-12(13(21)23)7-15(14(22)24)2-1-3-16(19,20)8-15/h4-6,12H,1-3,7-8H2,(H2,21,23)/t12?,15-/m0/s1
InChIKeyKJXHDGJEZJZKRD-CVRLYYSRSA-N
MW344.31 g/mol
LogP2.75
Rot. Bonds2

About (5S)-2-(3,5-difluorophenyl)-7,7-difluoro-1-oxo-2-azaspiro[4.5]decane-3-carboxamide

(5S)-2-(3,5-difluorophenyl)-7,7-difluoro-1-oxo-2-azaspiro[4.5]decane-3-carboxamide (PubChem CID 173465845) has the molecular formula C16H16F4N2O2 and a molecular weight of 344.31 g/mol. Its IUPAC name is (5S)-2-(3,5-difluorophenyl)-7,7-difluoro-1-oxo-2-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(5S)-2-(3,5-difluorophenyl)-7,7-difluoro-1-oxo-2-azaspiro[4.5]decane-3-carboxamide
PubChem CID173465845
Molecular FormulaC16H16F4N2O2
Molecular Weight344.31 g/mol
Exact Mass344.11
IUPAC Name(5S)-2-(3,5-difluorophenyl)-7,7-difluoro-1-oxo-2-azaspiro[4.5]decane-3-carboxamide
SMILESNC(=O)C1C[C@]2(CCCC(F)(F)C2)C(=O)N1c1cc(F)cc(F)c1
InChIInChI=1S/C16H16F4N2O2/c17-9-4-10(18)6-11(5-9)22-12(13(21)23)7-15(14(22)24)2-1-3-16(19,20)8-15/h4-6,12H,1-3,7-8H2,(H2,21,23)/t12?,15-/m0/s1
InChIKeyKJXHDGJEZJZKRD-CVRLYYSRSA-N
XLogP2.75
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-3-pyridinyl)-1-oxo-2-azaspiro[4.5]decane-3-carboxamide
CID 173465842
2-(4-fluorophenyl)-8-hydroxy-8-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide
CID 173465878
2-(3,5-difluorophenyl)-4-fluoro-4-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide
CID 173465850
2-(3,5-difluorophenyl)-4-fluoro-1-oxo-2-azaspiro[4.5]decane-3-carboxamide
CID 173465838
2-(6-methylpyrazin-2-yl)-1-oxo-2-azaspiro[4.5]decane-3-carboxamide
CID 173465870
2-(6-methyl-2-pyridinyl)-1-oxo-2-azaspiro[4.5]decane-3-carboxamide
CID 173465864
4-fluoro-2-(3-fluorophenyl)-4-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide
CID 173465891
methyl (5R,9S)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decane-9-carboxylate
CID 58237205
[(5R,9R)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-9-yl]azanide
CID 159176510
(5R,13S)-13-amino-3-(3,5-difluorophenyl)-8,11-dioxa-3-azadispiro[4.1.47.35]tetradecan-4-one
CID 58237297
(5S,9S)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decane-9-carboxylic acid;methyl (5R,9S)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decane-9-carboxylate
CID 158707593
1-[3-fluoro-5-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide
CID 106530891

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(3,5-difluorophenyl)-7,7-difluoro-1-oxo-2-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (5S)-2-(3,5-difluorophenyl)-7,7-difluoro-1-oxo-2-azaspiro[4.5]decane-3-carboxamide (CID 173465845) is (5S)-2-(3,5-difluorophenyl)-7,7-difluoro-1-oxo-2-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (5S)-2-(3,5-difluorophenyl)-7,7-difluoro-1-oxo-2-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (5S)-2-(3,5-difluorophenyl)-7,7-difluoro-1-oxo-2-azaspiro[4.5]decane-3-carboxamide is NC(=O)C1C[C@]2(CCCC(F)(F)C2)C(=O)N1c1cc(F)cc(F)c1.
What is the InChIKey of (5S)-2-(3,5-difluorophenyl)-7,7-difluoro-1-oxo-2-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is KJXHDGJEZJZKRD-CVRLYYSRSA-N. The full InChI is InChI=1S/C16H16F4N2O2/c17-9-4-10(18)6-11(5-9)22-12(13(21)23)7-15(14(22)24)2-1-3-16(19,20)8-15/h4-6,12H,1-3,7-8H2,(H2,21,23)/t12?,15-/m0/s1.
What are the key properties of (5S)-2-(3,5-difluorophenyl)-7,7-difluoro-1-oxo-2-azaspiro[4.5]decane-3-carboxamide?
(5S)-2-(3,5-difluorophenyl)-7,7-difluoro-1-oxo-2-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 344.31 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(3,5-difluorophenyl)-7,7-difluoro-1-oxo-2-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 173465845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).