2-diazo-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide

C13H14F3N3O — CID 154708519

IUPAC2-diazo-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC)C(=O)C(=[N+]=[N-])c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H14F3N3O/c1-3-19(4-2)12(20)11(18-17)9-5-7-10(8-6-9)13(14,15)16/h5-8H,3-4H2,1-2H3
InChIKeyLOSLQCJYRKFRHF-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.59
Rot. Bonds4

About 2-diazo-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide

2-diazo-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 154708519) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-diazo-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-diazo-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID154708519
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name2-diazo-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC)C(=O)C(=[N+]=[N-])c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H14F3N3O/c1-3-19(4-2)12(20)11(18-17)9-5-7-10(8-6-9)13(14,15)16/h5-8H,3-4H2,1-2H3
InChIKeyLOSLQCJYRKFRHF-UHFFFAOYSA-N
XLogP2.59
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-diazo-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-diazo-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide (CID 154708519) is 2-diazo-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-diazo-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-diazo-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide is CCN(CC)C(=O)C(=[N+]=[N-])c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-diazo-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is LOSLQCJYRKFRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-3-19(4-2)12(20)11(18-17)9-5-7-10(8-6-9)13(14,15)16/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-diazo-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide?
2-diazo-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 285.27 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 154708519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).