2-[5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]-2,4-dioxoimidazolidin-1-yl]-N-pyridin-3-ylacetamide

C19H16F3N5O5 — CID 156772970

IUPAC2-[5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]-2,4-dioxoimidazolidin-1-yl]-N-pyridin-3-ylacetamide
SMILESCC1(C)C(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C(=O)N1CC(=O)Nc1cccnc1
InChIInChI=1S/C19H16F3N5O5/c1-18(2)16(29)26(12-5-6-14(27(31)32)13(8-12)19(20,21)22)17(30)25(18)10-15(28)24-11-4-3-7-23-9-11/h3-9H,10H2,1-2H3,(H,24,28)
InChIKeyQQAREMKBWGDNEA-UHFFFAOYSA-N
MW451.36 g/mol
LogP3.19
Rot. Bonds5

About 2-[5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]-2,4-dioxoimidazolidin-1-yl]-N-pyridin-3-ylacetamide

2-[5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]-2,4-dioxoimidazolidin-1-yl]-N-pyridin-3-ylacetamide (PubChem CID 156772970) has the molecular formula C19H16F3N5O5 and a molecular weight of 451.36 g/mol. Its IUPAC name is 2-[5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]-2,4-dioxoimidazolidin-1-yl]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]-2,4-dioxoimidazolidin-1-yl]-N-pyridin-3-ylacetamide
PubChem CID156772970
Molecular FormulaC19H16F3N5O5
Molecular Weight451.36 g/mol
Exact Mass451.11
IUPAC Name2-[5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]-2,4-dioxoimidazolidin-1-yl]-N-pyridin-3-ylacetamide
SMILESCC1(C)C(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C(=O)N1CC(=O)Nc1cccnc1
InChIInChI=1S/C19H16F3N5O5/c1-18(2)16(29)26(12-5-6-14(27(31)32)13(8-12)19(20,21)22)17(30)25(18)10-15(28)24-11-4-3-7-23-9-11/h3-9H,10H2,1-2H3,(H,24,28)
InChIKeyQQAREMKBWGDNEA-UHFFFAOYSA-N
XLogP3.19
TPSA125.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]-2,4-dioxoimidazolidin-1-yl]-N-pyridin-3-ylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]-2,4-dioxoimidazolidin-1-yl]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]-2,4-dioxoimidazolidin-1-yl]-N-pyridin-3-ylacetamide (CID 156772970) is 2-[5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]-2,4-dioxoimidazolidin-1-yl]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]-2,4-dioxoimidazolidin-1-yl]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]-2,4-dioxoimidazolidin-1-yl]-N-pyridin-3-ylacetamide is CC1(C)C(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C(=O)N1CC(=O)Nc1cccnc1.
What is the InChIKey of 2-[5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]-2,4-dioxoimidazolidin-1-yl]-N-pyridin-3-ylacetamide?
The InChIKey is QQAREMKBWGDNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O5/c1-18(2)16(29)26(12-5-6-14(27(31)32)13(8-12)19(20,21)22)17(30)25(18)10-15(28)24-11-4-3-7-23-9-11/h3-9H,10H2,1-2H3,(H,24,28).
What are the key properties of 2-[5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]-2,4-dioxoimidazolidin-1-yl]-N-pyridin-3-ylacetamide?
2-[5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]-2,4-dioxoimidazolidin-1-yl]-N-pyridin-3-ylacetamide has a molecular weight of 451.36 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]-2,4-dioxoimidazolidin-1-yl]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 156772970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).