(7R,11S)-7,11-bis(4-fluorophenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone

C19H14F2N4O4 — CID 92528414

IUPAC(7R,11S)-7,11-bis(4-fluorophenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone
SMILESO=C1NC(=O)C2(C(=O)N1)[C@@H](c1ccc(F)cc1)NC(=O)N[C@H]2c1ccc(F)cc1
InChIInChI=1S/C19H14F2N4O4/c20-11-5-1-9(2-6-11)13-19(15(26)24-18(29)25-16(19)27)14(23-17(28)22-13)10-3-7-12(21)8-4-10/h1-8,13-14H,(H2,22,23,28)(H2,24,25,26,27,29)/t13-,14+
InChIKeyWVWYPFYVXUOQKR-OKILXGFUSA-N
MW400.34 g/mol
LogP1.41
Rot. Bonds2

About (7R,11S)-7,11-bis(4-fluorophenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone

(7R,11S)-7,11-bis(4-fluorophenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone (PubChem CID 92528414) has the molecular formula C19H14F2N4O4 and a molecular weight of 400.34 g/mol. Its IUPAC name is (7R,11S)-7,11-bis(4-fluorophenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone.

Molecular Properties

Compound Name(7R,11S)-7,11-bis(4-fluorophenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone
PubChem CID92528414
Molecular FormulaC19H14F2N4O4
Molecular Weight400.34 g/mol
Exact Mass400.10
IUPAC Name(7R,11S)-7,11-bis(4-fluorophenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone
SMILESO=C1NC(=O)C2(C(=O)N1)[C@@H](c1ccc(F)cc1)NC(=O)N[C@H]2c1ccc(F)cc1
InChIInChI=1S/C19H14F2N4O4/c20-11-5-1-9(2-6-11)13-19(15(26)24-18(29)25-16(19)27)14(23-17(28)22-13)10-3-7-12(21)8-4-10/h1-8,13-14H,(H2,22,23,28)(H2,24,25,26,27,29)/t13-,14+
InChIKeyWVWYPFYVXUOQKR-OKILXGFUSA-N
XLogP1.41
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.34
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-1-(phenylmethyl)-
CID 304583
7,11-Diphenyl-3,9-dithioxo-2,4,8,10-tetraazaspiro[5.5]undecane-1,5-dione
CID 3258072
3-N-[3-(4-cyano-4-phenylpiperidin-1-yl)propyl]-4-(2,4-difluorophenyl)-6-ethyl-2-oxo-1,4-dihydropyrimidine-3,5-dicarboxamide
CID 10415156
(4R)-4-(3,4-difluorophenyl)-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 10719222
1,5,5-tribenzyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 268733
7,11-Bis(4-methylphenyl)-9-sulfanylidene-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5-trione
CID 4431081
(4R)-3-acetyl-4-(3,4-difluorophenyl)-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1,6-dimethyl-2-oxo-4H-pyrimidine-5-carboxamide
CID 10792591
5,5-Diphenyl-1,3-diazinane-2,4-dione
CID 265733
7,11-Bis(4-fluorophenyl)-9-thioxo-2,4,8,10-tetraazaspiro[5.5]undecane-1,3,5-trione
CID 4295119
7,11-Bis(4-fluorophenyl)-3,9-dithioxo-2,4,8,10-tetraazaspiro[5.5]undecane-1,5-dione
CID 9551118
Barbituric acid, 5-allyl-1-benzyl-5-phenyl-
CID 52169
6-(4-Fluorophenyl)-1,3-diazinane-2,4-dione
CID 67054985

Frequently Asked Questions

What is the IUPAC name of (7R,11S)-7,11-bis(4-fluorophenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone?
The IUPAC name of (7R,11S)-7,11-bis(4-fluorophenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone (CID 92528414) is (7R,11S)-7,11-bis(4-fluorophenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone.
What is the SMILES notation for (7R,11S)-7,11-bis(4-fluorophenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone?
The canonical SMILES for (7R,11S)-7,11-bis(4-fluorophenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone is O=C1NC(=O)C2(C(=O)N1)[C@@H](c1ccc(F)cc1)NC(=O)N[C@H]2c1ccc(F)cc1.
What is the InChIKey of (7R,11S)-7,11-bis(4-fluorophenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone?
The InChIKey is WVWYPFYVXUOQKR-OKILXGFUSA-N. The full InChI is InChI=1S/C19H14F2N4O4/c20-11-5-1-9(2-6-11)13-19(15(26)24-18(29)25-16(19)27)14(23-17(28)22-13)10-3-7-12(21)8-4-10/h1-8,13-14H,(H2,22,23,28)(H2,24,25,26,27,29)/t13-,14+.
What are the key properties of (7R,11S)-7,11-bis(4-fluorophenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone?
(7R,11S)-7,11-bis(4-fluorophenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone has a molecular weight of 400.34 g/mol, XLogP of 1.41, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,11S)-7,11-bis(4-fluorophenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone is sourced from PubChem (CID 92528414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).