N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C21H25ClF3N3O4 — CID 55520882

IUPACN-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)C2=O
InChIInChI=1S/C21H25ClF3N3O4/c1-12-7-19(2,3)10-20(8-12)17(30)28(18(31)27-20)9-16(29)26-14-6-13(22)4-5-15(14)32-11-21(23,24)25/h4-6,12H,7-11H2,1-3H3,(H,26,29)(H,27,31)
InChIKeyRDWMXICBIPNGCP-UHFFFAOYSA-N
MW475.90 g/mol
LogP4.36
Rot. Bonds5

About N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 55520882) has the molecular formula C21H25ClF3N3O4 and a molecular weight of 475.90 g/mol. Its IUPAC name is N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID55520882
Molecular FormulaC21H25ClF3N3O4
Molecular Weight475.90 g/mol
Exact Mass475.15
IUPAC NameN-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)C2=O
InChIInChI=1S/C21H25ClF3N3O4/c1-12-7-19(2,3)10-20(8-12)17(30)28(18(31)27-20)9-16(29)26-14-6-13(22)4-5-15(14)32-11-21(23,24)25/h4-6,12H,7-11H2,1-3H3,(H,26,29)(H,27,31)
InChIKeyRDWMXICBIPNGCP-UHFFFAOYSA-N
XLogP4.36
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.90
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 46487376
N-(2-methoxy-5-methylphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2579596
N-[4-(trifluoromethyl)phenyl]-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7962016
N-(3-chloro-4-methoxyphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7934827
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 43068400
N-(2,4-dimethoxyphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2579563
N-(2,4-dimethoxyphenyl)-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2579558
N-(4-fluoro-2-methylphenyl)-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8864594
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 43008246
tert-butyl N-[2-fluoro-5-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]carbamate
CID 55767797
N-(2-ethylphenyl)-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7923789
N-(4-methylphenyl)-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2486566

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 55520882) is N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)C2=O.
What is the InChIKey of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is RDWMXICBIPNGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClF3N3O4/c1-12-7-19(2,3)10-20(8-12)17(30)28(18(31)27-20)9-16(29)26-14-6-13(22)4-5-15(14)32-11-21(23,24)25/h4-6,12H,7-11H2,1-3H3,(H,26,29)(H,27,31).
What are the key properties of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 475.90 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 55520882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).