N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)acetamide

C17H19FN2O — CID 108997842

IUPACN-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)acetamide
SMILESO=C(CNCCc1ccccc1)NCc1ccc(F)cc1
InChIInChI=1S/C17H19FN2O/c18-16-8-6-15(7-9-16)12-20-17(21)13-19-11-10-14-4-2-1-3-5-14/h1-9,19H,10-13H2,(H,20,21)
InChIKeyCPGCUMUGPQCCEM-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.27
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)acetamide

N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)acetamide (PubChem CID 108997842) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)acetamide
PubChem CID108997842
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)acetamide
SMILESO=C(CNCCc1ccccc1)NCc1ccc(F)cc1
InChIInChI=1S/C17H19FN2O/c18-16-8-6-15(7-9-16)12-20-17(21)13-19-11-10-14-4-2-1-3-5-14/h1-9,19H,10-13H2,(H,20,21)
InChIKeyCPGCUMUGPQCCEM-UHFFFAOYSA-N
XLogP2.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)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

N-benzyl-2-(2-phenylethylamino)acetamide
CID 28829660
N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997698
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
N-[2-(4-fluorophenyl)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109000531
N-[2-(4-fluorophenyl)ethyl]-3-(2-phenylethylamino)propanamide
CID 109024236
2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide
CID 112993239
2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylacetamide
CID 108992943
N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 78908414
N'-[2-(4-fluorophenyl)ethyl]-N-(2-phenylethyl)oxamide
CID 3117526
N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 60648420
N-[(4-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 108998209
N-benzyl-3-[[N-[2-(4-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]propanamide
CID 111228799

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)acetamide (CID 108997842) is N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)acetamide is O=C(CNCCc1ccccc1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)acetamide?
The InChIKey is CPGCUMUGPQCCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c18-16-8-6-15(7-9-16)12-20-17(21)13-19-11-10-14-4-2-1-3-5-14/h1-9,19H,10-13H2,(H,20,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)acetamide?
N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)acetamide has a molecular weight of 286.35 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)acetamide is sourced from PubChem (CID 108997842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).