[4-[4-[3-(2-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]phenyl]-[3-(2-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone

C40H36F2N4O4 — CID 118796580

IUPAC[4-[4-[3-(2-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]phenyl]-[3-(2-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
SMILESO=C(c1ccc(-c2ccc(C(=O)N3CCC4(CC3)CC(c3ccccc3F)=NO4)cc2)cc1)N1CCC2(CC1)CC(c1ccccc1F)=NO2
InChIInChI=1S/C40H36F2N4O4/c41-33-7-3-1-5-31(33)35-25-39(49-43-35)17-21-45(22-18-39)37(47)29-13-9-27(10-14-29)28-11-15-30(16-12-28)38(48)46-23-19-40(20-24-46)26-36(44-50-40)32-6-2-4-8-34(32)42/h1-16H,17-26H2
InChIKeyZJWARHDWKBHDDK-UHFFFAOYSA-N
MW674.75 g/mol
LogP7.23
Rot. Bonds5

About [4-[4-[3-(2-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]phenyl]-[3-(2-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone

[4-[4-[3-(2-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]phenyl]-[3-(2-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone (PubChem CID 118796580) has the molecular formula C40H36F2N4O4 and a molecular weight of 674.75 g/mol. Its IUPAC name is [4-[4-[3-(2-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]phenyl]-[3-(2-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone.

Molecular Properties

Compound Name[4-[4-[3-(2-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]phenyl]-[3-(2-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
PubChem CID118796580
Molecular FormulaC40H36F2N4O4
Molecular Weight674.75 g/mol
Exact Mass674.27
IUPAC Name[4-[4-[3-(2-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]phenyl]-[3-(2-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
SMILESO=C(c1ccc(-c2ccc(C(=O)N3CCC4(CC3)CC(c3ccccc3F)=NO4)cc2)cc1)N1CCC2(CC1)CC(c1ccccc1F)=NO2
InChIInChI=1S/C40H36F2N4O4/c41-33-7-3-1-5-31(33)35-25-39(49-43-35)17-21-45(22-18-39)37(47)29-13-9-27(10-14-29)28-11-15-30(16-12-28)38(48)46-23-19-40(20-24-46)26-36(44-50-40)32-6-2-4-8-34(32)42/h1-16H,17-26H2
InChIKeyZJWARHDWKBHDDK-UHFFFAOYSA-N
XLogP7.23
TPSA83.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.75
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[4-[3-(2-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]phenyl]-[3-(2-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone with MolForge

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Related Compounds

Biphenyl-4,4'-diylbis((3-(3-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone) (6h)
CID 118796581
Biphenyl-4,4'-diylbis((3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone) (6f)
CID 118796579
(4-Methylphenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134791614
[4-(Trifluoromethyl)phenyl]-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134793533
(2-Fluorophenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134803947
(3-Phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 134790611
(4-Fluorophenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134793632
(3-Benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(4-fluorophenyl)methanone
CID 134794393
(3-Benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-(2-fluorophenyl)methanone
CID 134795377
3-[[4-[4-[(E)-N-methoxy-C-phenylcarbonimidoyl]piperidine-1-carbonyl]phenyl]methyl]-8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 144277878
3-[[4-[4-(N-methoxy-C-phenylcarbonimidoyl)piperidine-1-carbonyl]phenyl]methyl]-8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 149927238
amino hypochlorite;(1-benzylpiperidin-4-yl)-[2-fluoro-4-(trifluoromethyl)phenyl]methanone;(NE)-N-[(1-benzylpiperidin-4-yl)-[2-fluoro-4-(trifluoromethyl)phenyl]methylidene]hydroxylamine
CID 172950423

Frequently Asked Questions

What is the IUPAC name of [4-[4-[3-(2-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]phenyl]-[3-(2-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone?
The IUPAC name of [4-[4-[3-(2-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]phenyl]-[3-(2-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone (CID 118796580) is [4-[4-[3-(2-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]phenyl]-[3-(2-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone.
What is the SMILES notation for [4-[4-[3-(2-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]phenyl]-[3-(2-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone?
The canonical SMILES for [4-[4-[3-(2-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]phenyl]-[3-(2-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone is O=C(c1ccc(-c2ccc(C(=O)N3CCC4(CC3)CC(c3ccccc3F)=NO4)cc2)cc1)N1CCC2(CC1)CC(c1ccccc1F)=NO2.
What is the InChIKey of [4-[4-[3-(2-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]phenyl]-[3-(2-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone?
The InChIKey is ZJWARHDWKBHDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36F2N4O4/c41-33-7-3-1-5-31(33)35-25-39(49-43-35)17-21-45(22-18-39)37(47)29-13-9-27(10-14-29)28-11-15-30(16-12-28)38(48)46-23-19-40(20-24-46)26-36(44-50-40)32-6-2-4-8-34(32)42/h1-16H,17-26H2.
What are the key properties of [4-[4-[3-(2-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]phenyl]-[3-(2-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone?
[4-[4-[3-(2-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]phenyl]-[3-(2-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone has a molecular weight of 674.75 g/mol, XLogP of 7.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[3-(2-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]phenyl]-[3-(2-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone is sourced from PubChem (CID 118796580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).