2-[2-(3-phenylpropoxy)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide

C24H23F3N2O2 — CID 54826954

IUPAC2-[2-(3-phenylpropoxy)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNc1ccccc1OCCCc1ccccc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H23F3N2O2/c25-24(26,27)19-11-6-12-20(16-19)29-23(30)17-28-21-13-4-5-14-22(21)31-15-7-10-18-8-2-1-3-9-18/h1-6,8-9,11-14,16,28H,7,10,15,17H2,(H,29,30)
InChIKeyWDVVOGFMMBYFMH-UHFFFAOYSA-N
MW428.45 g/mol
LogP5.77
Rot. Bonds9

About 2-[2-(3-phenylpropoxy)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[2-(3-phenylpropoxy)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 54826954) has the molecular formula C24H23F3N2O2 and a molecular weight of 428.45 g/mol. Its IUPAC name is 2-[2-(3-phenylpropoxy)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-phenylpropoxy)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID54826954
Molecular FormulaC24H23F3N2O2
Molecular Weight428.45 g/mol
Exact Mass428.17
IUPAC Name2-[2-(3-phenylpropoxy)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNc1ccccc1OCCCc1ccccc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H23F3N2O2/c25-24(26,27)19-11-6-12-20(16-19)29-23(30)17-28-21-13-4-5-14-22(21)31-15-7-10-18-8-2-1-3-9-18/h1-6,8-9,11-14,16,28H,7,10,15,17H2,(H,29,30)
InChIKeyWDVVOGFMMBYFMH-UHFFFAOYSA-N
XLogP5.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.45
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(3-phenylpropoxy)anilino]-N-[3-(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

3-phenyl-N-[3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54826779
N-(3,4-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54826855
N-(3,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827069
N-(3-hexoxyphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827137
N-ethyl-3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
CID 54826893
N-[3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837317
2-[3-(2-phenoxyethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54826045
3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844584
3-methyl-N-[4-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]benzamide
CID 54827048
2-methyl-N-[4-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54827227
3-[[2-(2-methoxyanilino)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54817220
N-[3-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide
CID 54843633

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-phenylpropoxy)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[2-(3-phenylpropoxy)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 54826954) is 2-[2-(3-phenylpropoxy)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(3-phenylpropoxy)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(3-phenylpropoxy)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CNc1ccccc1OCCCc1ccccc1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-(3-phenylpropoxy)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WDVVOGFMMBYFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O2/c25-24(26,27)19-11-6-12-20(16-19)29-23(30)17-28-21-13-4-5-14-22(21)31-15-7-10-18-8-2-1-3-9-18/h1-6,8-9,11-14,16,28H,7,10,15,17H2,(H,29,30).
What are the key properties of 2-[2-(3-phenylpropoxy)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[2-(3-phenylpropoxy)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 428.45 g/mol, XLogP of 5.77, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-phenylpropoxy)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 54826954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).