2-[2-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide

C18H20F2N2O2 — CID 31669319

IUPAC2-[2-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide
SMILESO=C(CNc1ccccc1OC(F)F)NCCCc1ccccc1
InChIInChI=1S/C18H20F2N2O2/c19-18(20)24-16-11-5-4-10-15(16)22-13-17(23)21-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,18,22H,6,9,12-13H2,(H,21,23)
InChIKeyCHBLAPJLSOZOBM-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.45
Rot. Bonds9

About 2-[2-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide

2-[2-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide (PubChem CID 31669319) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide
PubChem CID31669319
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name2-[2-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide
SMILESO=C(CNc1ccccc1OC(F)F)NCCCc1ccccc1
InChIInChI=1S/C18H20F2N2O2/c19-18(20)24-16-11-5-4-10-15(16)22-13-17(23)21-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,18,22H,6,9,12-13H2,(H,21,23)
InChIKeyCHBLAPJLSOZOBM-UHFFFAOYSA-N
XLogP3.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(difluoromethoxy)anilino]-N-(3-phenylpropyl)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-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide
CID 47007122
2-(difluoromethoxy)-N-(4-phenylbutyl)aniline
CID 114333183
N-(cyanomethyl)-2-[2-(difluoromethoxy)anilino]acetamide
CID 43146653
2-[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-phenylpropyl)acetamide
CID 86949426
2-[2-(difluoromethoxy)anilino]-N-(ethylcarbamoyl)acetamide
CID 26525960
2-(2-hydroxyethylamino)-N-(3-phenylpropyl)acetamide
CID 163571162
2-[2-(difluoromethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 37480115
N-cyclopropyl-2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]benzamide
CID 31673829
N-[2-(difluoromethoxy)phenyl]-2-(2-ethoxyanilino)acetamide
CID 9102233
2-(2-acetamidophenoxy)-N-(3-phenylpropyl)acetamide
CID 7867359
2-[[N-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylcarbamimidoyl]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111865989
2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]pentanoic acid
CID 43631427

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[2-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide (CID 31669319) is 2-[2-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[2-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[2-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide is O=C(CNc1ccccc1OC(F)F)NCCCc1ccccc1.
What is the InChIKey of 2-[2-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide?
The InChIKey is CHBLAPJLSOZOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c19-18(20)24-16-11-5-4-10-15(16)22-13-17(23)21-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,18,22H,6,9,12-13H2,(H,21,23).
What are the key properties of 2-[2-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide?
2-[2-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide has a molecular weight of 334.37 g/mol, XLogP of 3.45, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 31669319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).