2-(dimethylamino)-N-[3-nitro-4-(trifluoromethoxy)phenyl]acetamide

C11H12F3N3O4 — CID 59441950

IUPAC2-(dimethylamino)-N-[3-nitro-4-(trifluoromethoxy)phenyl]acetamide
SMILESCN(C)CC(=O)Nc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1
InChIInChI=1S/C11H12F3N3O4/c1-16(2)6-10(18)15-7-3-4-9(21-11(12,13)14)8(5-7)17(19)20/h3-5H,6H2,1-2H3,(H,15,18)
InChIKeyNDWWYQNQTYJNEO-UHFFFAOYSA-N
MW307.23 g/mol
LogP1.99
Rot. Bonds5

About 2-(dimethylamino)-N-[3-nitro-4-(trifluoromethoxy)phenyl]acetamide

2-(dimethylamino)-N-[3-nitro-4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 59441950) has the molecular formula C11H12F3N3O4 and a molecular weight of 307.23 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[3-nitro-4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[3-nitro-4-(trifluoromethoxy)phenyl]acetamide
PubChem CID59441950
Molecular FormulaC11H12F3N3O4
Molecular Weight307.23 g/mol
Exact Mass307.08
IUPAC Name2-(dimethylamino)-N-[3-nitro-4-(trifluoromethoxy)phenyl]acetamide
SMILESCN(C)CC(=O)Nc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1
InChIInChI=1S/C11H12F3N3O4/c1-16(2)6-10(18)15-7-3-4-9(21-11(12,13)14)8(5-7)17(19)20/h3-5H,6H2,1-2H3,(H,15,18)
InChIKeyNDWWYQNQTYJNEO-UHFFFAOYSA-N
XLogP1.99
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[3-nitro-4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[3-nitro-4-(trifluoromethoxy)phenyl]acetamide (CID 59441950) is 2-(dimethylamino)-N-[3-nitro-4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[3-nitro-4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[3-nitro-4-(trifluoromethoxy)phenyl]acetamide is CN(C)CC(=O)Nc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(dimethylamino)-N-[3-nitro-4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is NDWWYQNQTYJNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O4/c1-16(2)6-10(18)15-7-3-4-9(21-11(12,13)14)8(5-7)17(19)20/h3-5H,6H2,1-2H3,(H,15,18).
What are the key properties of 2-(dimethylamino)-N-[3-nitro-4-(trifluoromethoxy)phenyl]acetamide?
2-(dimethylamino)-N-[3-nitro-4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 307.23 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[3-nitro-4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 59441950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).