N-(2-azidoethyl)-2-[4-(trifluoromethyl)phenyl]acetamide

C11H11F3N4O — CID 55040920

IUPACN-(2-azidoethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILES[N-]=[N+]=NCCNC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11F3N4O/c12-11(13,14)9-3-1-8(2-4-9)7-10(19)16-5-6-17-18-15/h1-4H,5-7H2,(H,16,19)
InChIKeyYUVBXMVLTKCVAY-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.67
Rot. Bonds5

About N-(2-azidoethyl)-2-[4-(trifluoromethyl)phenyl]acetamide

N-(2-azidoethyl)-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 55040920) has the molecular formula C11H11F3N4O and a molecular weight of 272.23 g/mol. Its IUPAC name is N-(2-azidoethyl)-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(2-azidoethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID55040920
Molecular FormulaC11H11F3N4O
Molecular Weight272.23 g/mol
Exact Mass272.09
IUPAC NameN-(2-azidoethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILES[N-]=[N+]=NCCNC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11F3N4O/c12-11(13,14)9-3-1-8(2-4-9)7-10(19)16-5-6-17-18-15/h1-4H,5-7H2,(H,16,19)
InChIKeyYUVBXMVLTKCVAY-UHFFFAOYSA-N
XLogP2.67
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-azidobutyl)-4-(trifluoromethyl)benzamide
CID 106386467
N-(2-azidoethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909276
N-[3-(methylamino)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62115395
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
2-(4-chlorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26594302
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
N-(2-azidoethyl)-4-ethylbenzamide
CID 55136940
N-[2-(2-bromoethoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 114309403
N-(3-aminobutyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119497448
N-(2-chloropropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 113271516
N-(2-amino-2-sulfanylideneethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62114372
N-[2-(benzylsulfamoyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55726450

Frequently Asked Questions

What is the IUPAC name of N-(2-azidoethyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(2-azidoethyl)-2-[4-(trifluoromethyl)phenyl]acetamide (CID 55040920) is N-(2-azidoethyl)-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(2-azidoethyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(2-azidoethyl)-2-[4-(trifluoromethyl)phenyl]acetamide is [N-]=[N+]=NCCNC(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-azidoethyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YUVBXMVLTKCVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O/c12-11(13,14)9-3-1-8(2-4-9)7-10(19)16-5-6-17-18-15/h1-4H,5-7H2,(H,16,19).
What are the key properties of N-(2-azidoethyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
N-(2-azidoethyl)-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 272.23 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 55040920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).