N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)acetamide

C13H19FN2O — CID 60648420

IUPACN-[2-(4-fluorophenyl)ethyl]-2-(propylamino)acetamide
SMILESCCCNCC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c1-2-8-15-10-13(17)16-9-7-11-3-5-12(14)6-4-11/h3-6,15H,2,7-10H2,1H3,(H,16,17)
InChIKeyWEDLTYBNNMNLFW-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.48
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)acetamide

N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)acetamide (PubChem CID 60648420) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-(propylamino)acetamide
PubChem CID60648420
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-(propylamino)acetamide
SMILESCCCNCC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c1-2-8-15-10-13(17)16-9-7-11-3-5-12(14)6-4-11/h3-6,15H,2,7-10H2,1H3,(H,16,17)
InChIKeyWEDLTYBNNMNLFW-UHFFFAOYSA-N
XLogP1.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylethyl)-2-(propylamino)acetamide
CID 54818782
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
N-[3-(dimethylamino)propyl]-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 108995212
N-[2-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109000540
4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913
3-(4-ethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94866860
2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylacetamide
CID 108992943
2-[2-(4-methoxyphenyl)ethylamino]-N-propylacetamide
CID 28574182
N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)acetamide
CID 108997842
N-(4-fluorophenyl)-2-(propylamino)acetamide
CID 28586343
2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide
CID 112993239
2-(dimethylsulfamoylamino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 112993422

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)acetamide (CID 60648420) is N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)acetamide is CCCNCC(=O)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)acetamide?
The InChIKey is WEDLTYBNNMNLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-2-8-15-10-13(17)16-9-7-11-3-5-12(14)6-4-11/h3-6,15H,2,7-10H2,1H3,(H,16,17).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)acetamide has a molecular weight of 238.31 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)acetamide is sourced from PubChem (CID 60648420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).