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

C20H24ClF3N4O3 — CID 2505844

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]amino]acetamide
SMILESCC1CCC2(CC1)NC(=O)N(CN(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C2=O
InChIInChI=1S/C20H24ClF3N4O3/c1-12-5-7-19(8-6-12)17(30)28(18(31)26-19)11-27(2)10-16(29)25-13-3-4-15(21)14(9-13)20(22,23)24/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,25,29)(H,26,31)
InChIKeyZAIIXHHNKVPBSW-UHFFFAOYSA-N
MW460.88 g/mol
LogP3.69
Rot. Bonds5

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

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]amino]acetamide (PubChem CID 2505844) has the molecular formula C20H24ClF3N4O3 and a molecular weight of 460.88 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]amino]acetamide
PubChem CID2505844
Molecular FormulaC20H24ClF3N4O3
Molecular Weight460.88 g/mol
Exact Mass460.15
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]amino]acetamide
SMILESCC1CCC2(CC1)NC(=O)N(CN(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C2=O
InChIInChI=1S/C20H24ClF3N4O3/c1-12-5-7-19(8-6-12)17(30)28(18(31)26-19)11-27(2)10-16(29)25-13-3-4-15(21)14(9-13)20(22,23)24/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,25,29)(H,26,31)
InChIKeyZAIIXHHNKVPBSW-UHFFFAOYSA-N
XLogP3.69
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.88
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]amino]acetamide?
The IUPAC name of 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) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]amino]acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]amino]acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]amino]acetamide is CC1CCC2(CC1)NC(=O)N(CN(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C2=O.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]amino]acetamide?
The InChIKey is ZAIIXHHNKVPBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClF3N4O3/c1-12-5-7-19(8-6-12)17(30)28(18(31)26-19)11-27(2)10-16(29)25-13-3-4-15(21)14(9-13)20(22,23)24/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,25,29)(H,26,31).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]amino]acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]amino]acetamide has a molecular weight of 460.88 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]amino]acetamide is sourced from PubChem (CID 2505844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).