3-[[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione

C16H17F2N3O3 — CID 2643515

IUPAC3-[[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1N=Cc1ccccc1OC(F)F
InChIInChI=1S/C16H17F2N3O3/c17-14(18)24-12-7-3-2-6-11(12)10-19-21-13(22)16(20-15(21)23)8-4-1-5-9-16/h2-3,6-7,10,14H,1,4-5,8-9H2,(H,20,23)
InChIKeyRGFOHWBNPWIVDR-UHFFFAOYSA-N
MW337.33 g/mol
LogP2.88
Rot. Bonds4

About 3-[[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 2643515) has the molecular formula C16H17F2N3O3 and a molecular weight of 337.33 g/mol. Its IUPAC name is 3-[[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID2643515
Molecular FormulaC16H17F2N3O3
Molecular Weight337.33 g/mol
Exact Mass337.12
IUPAC Name3-[[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1N=Cc1ccccc1OC(F)F
InChIInChI=1S/C16H17F2N3O3/c17-14(18)24-12-7-3-2-6-11(12)10-19-21-13(22)16(20-15(21)23)8-4-1-5-9-16/h2-3,6-7,10,14H,1,4-5,8-9H2,(H,20,23)
InChIKeyRGFOHWBNPWIVDR-UHFFFAOYSA-N
XLogP2.88
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 135501956
3-[(E)-(4-methoxyphenyl)methylideneamino]-5,5-diphenylimidazolidine-2,4-dione
CID 127034487
3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 6911597
3-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 9657998
5-[4-(difluoromethoxy)phenyl]-3-[(E)-(2-ethoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 9684070
(5S)-3-[(4-butoxyphenyl)methylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 2092740
(5R)-5-[4-(difluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 2644301
(5S)-5-[4-(difluoromethoxy)phenyl]-3-[(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 2644302
(5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 2644307
(5S)-5-[4-(difluoromethoxy)phenyl]-3-[(2-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 2644308
(5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-methylphenyl)methylideneamino]imidazolidine-2,4-dione
CID 2644309
(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-methylphenyl)methylideneamino]imidazolidine-2,4-dione
CID 2644310

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 2643515) is 3-[[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCCCC2)C(=O)N1N=Cc1ccccc1OC(F)F.
What is the InChIKey of 3-[[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is RGFOHWBNPWIVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O3/c17-14(18)24-12-7-3-2-6-11(12)10-19-21-13(22)16(20-15(21)23)8-4-1-5-9-16/h2-3,6-7,10,14H,1,4-5,8-9H2,(H,20,23).
What are the key properties of 3-[[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 337.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 2643515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).