N-(4-fluorophenyl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide

C20H20FN3O2 — CID 91027762

IUPACN-(4-fluorophenyl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCC2(C=C(c3ccccc3)NO2)CC1
InChIInChI=1S/C20H20FN3O2/c21-16-6-8-17(9-7-16)22-19(25)24-12-10-20(11-13-24)14-18(23-26-20)15-4-2-1-3-5-15/h1-9,14,23H,10-13H2,(H,22,25)
InChIKeyQZBLFAVMQXAZAM-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.77
Rot. Bonds2

About N-(4-fluorophenyl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide

N-(4-fluorophenyl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (PubChem CID 91027762) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
PubChem CID91027762
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-(4-fluorophenyl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCC2(C=C(c3ccccc3)NO2)CC1
InChIInChI=1S/C20H20FN3O2/c21-16-6-8-17(9-7-16)22-19(25)24-12-10-20(11-13-24)14-18(23-26-20)15-4-2-1-3-5-15/h1-9,14,23H,10-13H2,(H,22,25)
InChIKeyQZBLFAVMQXAZAM-UHFFFAOYSA-N
XLogP3.77
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 4064342
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1-(1-Benzylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 3848011
4-benzyl-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 732316
N-(2-fluorophenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
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N-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 808203
N-(1-benzyl-4-piperidinyl)-N'-(4-fluorophenyl)urea
CID 6465310
N-(1-benzyl-4-piperidinyl)-N'-(3-fluorophenyl)urea
CID 6471104
1-(2''-Fluorobiphenyl-4-yl)-3-(4-(piperidin-1-yl)butyl)urea
CID 46831057
1-(4''-Fluorobiphenyl-4-yl)-3-(4-(piperidin-1-yl)butyl)urea
CID 46831058
1-Benzyl-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 126696274

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (CID 91027762) is N-(4-fluorophenyl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is O=C(Nc1ccc(F)cc1)N1CCC2(C=C(c3ccccc3)NO2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?
The InChIKey is QZBLFAVMQXAZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c21-16-6-8-17(9-7-16)22-19(25)24-12-10-20(11-13-24)14-18(23-26-20)15-4-2-1-3-5-15/h1-9,14,23H,10-13H2,(H,22,25).
What are the key properties of N-(4-fluorophenyl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?
N-(4-fluorophenyl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is sourced from PubChem (CID 91027762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).