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

C17H17ClF3N3O3 — CID 7916465

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H17ClF3N3O3/c18-12-5-4-10(8-11(12)17(19,20)21)22-13(25)9-24-14(26)16(23-15(24)27)6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H,22,25)(H,23,27)
InChIKeyUANMFPNSXSXYHB-UHFFFAOYSA-N
MW403.79 g/mol
LogP3.55
Rot. Bonds3

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

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 7916465) has the molecular formula C17H17ClF3N3O3 and a molecular weight of 403.79 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID7916465
Molecular FormulaC17H17ClF3N3O3
Molecular Weight403.79 g/mol
Exact Mass403.09
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H17ClF3N3O3/c18-12-5-4-10(8-11(12)17(19,20)21)22-13(25)9-24-14(26)16(23-15(24)27)6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H,22,25)(H,23,27)
InChIKeyUANMFPNSXSXYHB-UHFFFAOYSA-N
XLogP3.55
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.79
LogP ≤ 53.55
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-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2449152
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2449682
N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2701850
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2701790
2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 41167125
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42989218
N-[3,5-bis(trifluoromethyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2459919
N-(3-chloro-4-piperidin-1-ylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55885276
N-[3-chloro-4-(dimethylamino)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55825786
N-(4-chloro-3-nitrophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 7916485
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]amino]acetamide
CID 2505844
N-(3,4-dimethylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622570

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 7916465) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is UANMFPNSXSXYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N3O3/c18-12-5-4-10(8-11(12)17(19,20)21)22-13(25)9-24-14(26)16(23-15(24)27)6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H,22,25)(H,23,27).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 403.79 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 7916465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).