N-[3-(3-fluorophenyl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

C23H24FN3O3 — CID 51592951

IUPACN-[3-(3-fluorophenyl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESC[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cccc(-c3cccc(F)c3)c1)C2=O
InChIInChI=1S/C23H24FN3O3/c1-15-6-2-3-11-23(15)21(29)27(22(30)26-23)14-20(28)25-19-10-5-8-17(13-19)16-7-4-9-18(24)12-16/h4-5,7-10,12-13,15H,2-3,6,11,14H2,1H3,(H,25,28)(H,26,30)/t15-,23-/m1/s1
InChIKeyIJUOPCQAZVXJBP-IQMFZBJNSA-N
MW409.46 g/mol
LogP3.93
Rot. Bonds4

About N-[3-(3-fluorophenyl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

N-[3-(3-fluorophenyl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 51592951) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID51592951
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC NameN-[3-(3-fluorophenyl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESC[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cccc(-c3cccc(F)c3)c1)C2=O
InChIInChI=1S/C23H24FN3O3/c1-15-6-2-3-11-23(15)21(29)27(22(30)26-23)14-20(28)25-19-10-5-8-17(13-19)16-7-4-9-18(24)12-16/h4-5,7-10,12-13,15H,2-3,6,11,14H2,1H3,(H,25,28)(H,26,30)/t15-,23-/m1/s1
InChIKeyIJUOPCQAZVXJBP-IQMFZBJNSA-N
XLogP3.93
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 95348764
N-(3-acetylphenyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703428
N-(3-acetylphenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703426
N-(3-cyanophenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703513
N-(3-cyanophenyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703516
N-[3-(ethylaminomethyl)phenyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119438447
N-(3-chloro-4-fluorophenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703421
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyridin-3-ylacetamide
CID 4882227
N-(2-chloro-4-fluorophenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703501
N-(2-chloro-4-fluorophenyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703504
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methylphenyl)acetamide
CID 2703485
N-(3,5-dimethylphenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703524

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-[3-(3-fluorophenyl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 51592951) is N-[3-(3-fluorophenyl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-[3-(3-fluorophenyl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cccc(-c3cccc(F)c3)c1)C2=O.
What is the InChIKey of N-[3-(3-fluorophenyl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is IJUOPCQAZVXJBP-IQMFZBJNSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-15-6-2-3-11-23(15)21(29)27(22(30)26-23)14-20(28)25-19-10-5-8-17(13-19)16-7-4-9-18(24)12-16/h4-5,7-10,12-13,15H,2-3,6,11,14H2,1H3,(H,25,28)(H,26,30)/t15-,23-/m1/s1.
What are the key properties of N-[3-(3-fluorophenyl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
N-[3-(3-fluorophenyl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 409.46 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 51592951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).