N-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(trifluoromethyl)chromen-3-yl]methyl]-N-hydroxyacetamide

C20H19F3N2O4 — CID 10047015

IUPACN-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(trifluoromethyl)chromen-3-yl]methyl]-N-hydroxyacetamide
SMILESCC(=O)N(O)CC1=C(n2ccccc2=O)c2cc(C(F)(F)F)ccc2OC1(C)C
InChIInChI=1S/C20H19F3N2O4/c1-12(26)25(28)11-15-18(24-9-5-4-6-17(24)27)14-10-13(20(21,22)23)7-8-16(14)29-19(15,2)3/h4-10,28H,11H2,1-3H3
InChIKeyFXRJKZVWFJSKGI-UHFFFAOYSA-N
MW408.38 g/mol
LogP3.54
Rot. Bonds3

About N-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(trifluoromethyl)chromen-3-yl]methyl]-N-hydroxyacetamide

N-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(trifluoromethyl)chromen-3-yl]methyl]-N-hydroxyacetamide (PubChem CID 10047015) has the molecular formula C20H19F3N2O4 and a molecular weight of 408.38 g/mol. Its IUPAC name is N-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(trifluoromethyl)chromen-3-yl]methyl]-N-hydroxyacetamide.

Molecular Properties

Compound NameN-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(trifluoromethyl)chromen-3-yl]methyl]-N-hydroxyacetamide
PubChem CID10047015
Molecular FormulaC20H19F3N2O4
Molecular Weight408.38 g/mol
Exact Mass408.13
IUPAC NameN-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(trifluoromethyl)chromen-3-yl]methyl]-N-hydroxyacetamide
SMILESCC(=O)N(O)CC1=C(n2ccccc2=O)c2cc(C(F)(F)F)ccc2OC1(C)C
InChIInChI=1S/C20H19F3N2O4/c1-12(26)25(28)11-15-18(24-9-5-4-6-17(24)27)14-10-13(20(21,22)23)7-8-16(14)29-19(15,2)3/h4-10,28H,11H2,1-3H3
InChIKeyFXRJKZVWFJSKGI-UHFFFAOYSA-N
XLogP3.54
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(trifluoromethyl)chromen-3-yl]methyl]-N-hydroxyacetamide 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 N-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(trifluoromethyl)chromen-3-yl]methyl]-N-hydroxyacetamide?
The IUPAC name of N-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(trifluoromethyl)chromen-3-yl]methyl]-N-hydroxyacetamide (CID 10047015) is N-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(trifluoromethyl)chromen-3-yl]methyl]-N-hydroxyacetamide.
What is the SMILES notation for N-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(trifluoromethyl)chromen-3-yl]methyl]-N-hydroxyacetamide?
The canonical SMILES for N-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(trifluoromethyl)chromen-3-yl]methyl]-N-hydroxyacetamide is CC(=O)N(O)CC1=C(n2ccccc2=O)c2cc(C(F)(F)F)ccc2OC1(C)C.
What is the InChIKey of N-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(trifluoromethyl)chromen-3-yl]methyl]-N-hydroxyacetamide?
The InChIKey is FXRJKZVWFJSKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O4/c1-12(26)25(28)11-15-18(24-9-5-4-6-17(24)27)14-10-13(20(21,22)23)7-8-16(14)29-19(15,2)3/h4-10,28H,11H2,1-3H3.
What are the key properties of N-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(trifluoromethyl)chromen-3-yl]methyl]-N-hydroxyacetamide?
N-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(trifluoromethyl)chromen-3-yl]methyl]-N-hydroxyacetamide has a molecular weight of 408.38 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(trifluoromethyl)chromen-3-yl]methyl]-N-hydroxyacetamide is sourced from PubChem (CID 10047015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).