N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C18H19ClF3N3O3 — CID 7170121

IUPACN-[2-chloro-6-(trifluoromethyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1c(Cl)cccc1C(F)(F)F)C2=O
InChIInChI=1S/C18H19ClF3N3O3/c1-10-5-7-17(8-6-10)15(27)25(16(28)24-17)9-13(26)23-14-11(18(20,21)22)3-2-4-12(14)19/h2-4,10H,5-9H2,1H3,(H,23,26)(H,24,28)
InChIKeyWKKXBBDNCZJAFD-UHFFFAOYSA-N
MW417.82 g/mol
LogP3.80
Rot. Bonds3

About N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 7170121) has the molecular formula C18H19ClF3N3O3 and a molecular weight of 417.82 g/mol. Its IUPAC name is N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-chloro-6-(trifluoromethyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID7170121
Molecular FormulaC18H19ClF3N3O3
Molecular Weight417.82 g/mol
Exact Mass417.11
IUPAC NameN-[2-chloro-6-(trifluoromethyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1c(Cl)cccc1C(F)(F)F)C2=O
InChIInChI=1S/C18H19ClF3N3O3/c1-10-5-7-17(8-6-10)15(27)25(16(28)24-17)9-13(26)23-14-11(18(20,21)22)3-2-4-12(14)19/h2-4,10H,5-9H2,1H3,(H,23,26)(H,24,28)
InChIKeyWKKXBBDNCZJAFD-UHFFFAOYSA-N
XLogP3.80
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.82
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(3S)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]acetamide
CID 2483041
N-(2-chlorophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3919530
N-(2,6-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2475113
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 40857381
N-(2,6-dimethylphenyl)-2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
CID 7240740
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7916465
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 2085218
N-[3-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 55510760
N-(2,6-dichlorophenyl)-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide
CID 112774177
N-(3-iodophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4804356
N-(2-chlorophenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180932
methyl N-[4-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]carbamate
CID 55805969

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 7170121) is N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1c(Cl)cccc1C(F)(F)F)C2=O.
What is the InChIKey of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is WKKXBBDNCZJAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF3N3O3/c1-10-5-7-17(8-6-10)15(27)25(16(28)24-17)9-13(26)23-14-11(18(20,21)22)3-2-4-12(14)19/h2-4,10H,5-9H2,1H3,(H,23,26)(H,24,28).
What are the key properties of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 417.82 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 7170121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).