2-(2-chlorophenyl)-8-(3-fluoro-4-methoxybenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one

C20H20ClFN4O3 — CID 91890995

IUPAC2-(2-chlorophenyl)-8-(3-fluoro-4-methoxybenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one
SMILESCOc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(c2ccccc2Cl)N3)cc1F
InChIInChI=1S/C20H20ClFN4O3/c1-29-17-7-6-13(12-15(17)22)18(27)25-10-8-20(9-11-25)23-19(28)26(24-20)16-5-3-2-4-14(16)21/h2-7,12,24H,8-11H2,1H3,(H,23,28)
InChIKeyAAFWQWIGKKRROP-UHFFFAOYSA-N
MW418.86 g/mol
LogP3.15
Rot. Bonds3

About 2-(2-chlorophenyl)-8-(3-fluoro-4-methoxybenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one

2-(2-chlorophenyl)-8-(3-fluoro-4-methoxybenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one (PubChem CID 91890995) has the molecular formula C20H20ClFN4O3 and a molecular weight of 418.86 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-8-(3-fluoro-4-methoxybenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-8-(3-fluoro-4-methoxybenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one
PubChem CID91890995
Molecular FormulaC20H20ClFN4O3
Molecular Weight418.86 g/mol
Exact Mass418.12
IUPAC Name2-(2-chlorophenyl)-8-(3-fluoro-4-methoxybenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one
SMILESCOc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(c2ccccc2Cl)N3)cc1F
InChIInChI=1S/C20H20ClFN4O3/c1-29-17-7-6-13(12-15(17)22)18(27)25-10-8-20(9-11-25)23-19(28)26(24-20)16-5-3-2-4-14(16)21/h2-7,12,24H,8-11H2,1H3,(H,23,28)
InChIKeyAAFWQWIGKKRROP-UHFFFAOYSA-N
XLogP3.15
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.86
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-chlorophenyl)-8-(3-fluoro-4-methoxybenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one with MolForge

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Related Compounds

(5R)-N-(3-fluorophenyl)-9-(4-methoxybenzoyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234106
N-(2-chlorophenyl)-4-[(4-methoxybenzoyl)amino]piperidine-1-carboxamide
CID 3218449
2-(4-Fluorophenyl)-8-(4-methoxybenzoyl)-1,2,4,8-tetraazaspiro[4.5]decan-3-one
CID 91890984
8-(3-Fluoro-4-methoxybenzoyl)-2-(3-fluorophenyl)-1,2,4,8-tetraazaspiro[4.5]decan-3-one
CID 91891003
8-(2,4-Dimethoxybenzoyl)-2-(3-fluorophenyl)-1,2,4,8-tetraazaspiro[4.5]decan-3-one
CID 91891017
2-(3-Fluorophenyl)-8-(4-methoxybenzoyl)-1,2,4,8-tetraazaspiro[4.5]decan-3-one
CID 91891019
8-(4-Ethoxybenzoyl)-2-(4-fluorophenyl)-1,2,4,8-tetraazaspiro[4.5]decan-3-one
CID 91891023
8-(4-Chloro-2-methoxybenzoyl)-2-(4-fluorophenyl)-1,2,4,8-tetraazaspiro[4.5]decan-3-one
CID 91891025
2-(4-Fluorophenyl)-8-[3-(2-methoxyphenyl)propanoyl]-1,2,4,8-tetraazaspiro[4.5]decan-3-one
CID 91891027
2-(3-Fluorophenyl)-8-[2-(3-methoxyphenyl)acetyl]-1,2,4,8-tetraazaspiro[4.5]decan-3-one
CID 91891029
2-(3-Fluorophenyl)-8-[3-(2-methoxyphenyl)propanoyl]-1,2,4,8-tetraazaspiro[4.5]decan-3-one
CID 91891030
2-(3-Fluorophenyl)-8-[3-(4-methoxyphenyl)propanoyl]-1,2,4,8-tetraazaspiro[4.5]decan-3-one
CID 91891032

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-8-(3-fluoro-4-methoxybenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(2-chlorophenyl)-8-(3-fluoro-4-methoxybenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one (CID 91890995) is 2-(2-chlorophenyl)-8-(3-fluoro-4-methoxybenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(2-chlorophenyl)-8-(3-fluoro-4-methoxybenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(2-chlorophenyl)-8-(3-fluoro-4-methoxybenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one is COc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(c2ccccc2Cl)N3)cc1F.
What is the InChIKey of 2-(2-chlorophenyl)-8-(3-fluoro-4-methoxybenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one?
The InChIKey is AAFWQWIGKKRROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O3/c1-29-17-7-6-13(12-15(17)22)18(27)25-10-8-20(9-11-25)23-19(28)26(24-20)16-5-3-2-4-14(16)21/h2-7,12,24H,8-11H2,1H3,(H,23,28).
What are the key properties of 2-(2-chlorophenyl)-8-(3-fluoro-4-methoxybenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one?
2-(2-chlorophenyl)-8-(3-fluoro-4-methoxybenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one has a molecular weight of 418.86 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-8-(3-fluoro-4-methoxybenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one is sourced from PubChem (CID 91890995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).