N-[2-(2-bromoethoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C13H15BrF3NO2 — CID 114309403

IUPACN-[2-(2-bromoethoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)NCCOCCBr
InChIInChI=1S/C13H15BrF3NO2/c14-5-7-20-8-6-18-12(19)9-10-1-3-11(4-2-10)13(15,16)17/h1-4H,5-9H2,(H,18,19)
InChIKeyMPVYNQFDXWSAIO-UHFFFAOYSA-N
MW354.17 g/mol
LogP2.78
Rot. Bonds7

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

N-[2-(2-bromoethoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 114309403) has the molecular formula C13H15BrF3NO2 and a molecular weight of 354.17 g/mol. Its IUPAC name is N-[2-(2-bromoethoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-bromoethoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID114309403
Molecular FormulaC13H15BrF3NO2
Molecular Weight354.17 g/mol
Exact Mass353.02
IUPAC NameN-[2-(2-bromoethoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)NCCOCCBr
InChIInChI=1S/C13H15BrF3NO2/c14-5-7-20-8-6-18-12(19)9-10-1-3-11(4-2-10)13(15,16)17/h1-4H,5-9H2,(H,18,19)
InChIKeyMPVYNQFDXWSAIO-UHFFFAOYSA-N
XLogP2.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.17
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[2-(2-bromoethoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
CID 55803102
N-[3-(2-bromoethoxy)propyl]-2-(4-methylphenyl)acetamide
CID 106307754
N-(3-propan-2-yloxypropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 47015106
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
N-[3-(methylamino)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62115395
2-(4-chlorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26594302
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 16757561
N-[2-(3-chlorophenoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55717207
N-[2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 34508604
N-(2-azidoethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55040920
N-[2-(2-methylcyclohexyl)oxyethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 47036325
N-(2-bromopropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 114308761

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-(2-bromoethoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 114309403) is N-[2-(2-bromoethoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-(2-bromoethoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-(2-bromoethoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(C(F)(F)F)cc1)NCCOCCBr.
What is the InChIKey of N-[2-(2-bromoethoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is MPVYNQFDXWSAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF3NO2/c14-5-7-20-8-6-18-12(19)9-10-1-3-11(4-2-10)13(15,16)17/h1-4H,5-9H2,(H,18,19).
What are the key properties of N-[2-(2-bromoethoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[2-(2-bromoethoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 354.17 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 114309403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).