N,N-diethyl-2-[2-(4-fluorophenyl)ethylamino]acetamide

C14H21FN2O — CID 28570858

IUPACN,N-diethyl-2-[2-(4-fluorophenyl)ethylamino]acetamide
SMILESCCN(CC)C(=O)CNCCc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-3-17(4-2)14(18)11-16-10-9-12-5-7-13(15)8-6-12/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyJJXLOSGMXZNZOS-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.83
Rot. Bonds7

About N,N-diethyl-2-[2-(4-fluorophenyl)ethylamino]acetamide

N,N-diethyl-2-[2-(4-fluorophenyl)ethylamino]acetamide (PubChem CID 28570858) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N,N-diethyl-2-[2-(4-fluorophenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[2-(4-fluorophenyl)ethylamino]acetamide
PubChem CID28570858
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN,N-diethyl-2-[2-(4-fluorophenyl)ethylamino]acetamide
SMILESCCN(CC)C(=O)CNCCc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-3-17(4-2)14(18)11-16-10-9-12-5-7-13(15)8-6-12/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyJJXLOSGMXZNZOS-UHFFFAOYSA-N
XLogP1.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-[(4-fluorophenyl)methylamino]acetamide
CID 28581599
N,N-diethyl-2-(2-pyridin-4-ylethylamino)acetamide
CID 60904348
N',N'-diethyl-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 108526117
N-benzyl-2-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 109000424
N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 60648420
[2-(4-fluorophenyl)ethylamino]methanol
CID 69360802
2-[(3,5-difluorophenyl)methylamino]-N,N-diethylacetamide
CID 115767711
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-methylurea
CID 115603517
N,N-diethyl-2-[[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]amino]acetamide
CID 97321937
N,N-diethyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 80682839
N-[3-(dimethylamino)propyl]-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 108995212
N-(2,6-diethylphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 109000450

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-(4-fluorophenyl)ethylamino]acetamide?
The IUPAC name of N,N-diethyl-2-[2-(4-fluorophenyl)ethylamino]acetamide (CID 28570858) is N,N-diethyl-2-[2-(4-fluorophenyl)ethylamino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[2-(4-fluorophenyl)ethylamino]acetamide?
The canonical SMILES for N,N-diethyl-2-[2-(4-fluorophenyl)ethylamino]acetamide is CCN(CC)C(=O)CNCCc1ccc(F)cc1.
What is the InChIKey of N,N-diethyl-2-[2-(4-fluorophenyl)ethylamino]acetamide?
The InChIKey is JJXLOSGMXZNZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-3-17(4-2)14(18)11-16-10-9-12-5-7-13(15)8-6-12/h5-8,16H,3-4,9-11H2,1-2H3.
What are the key properties of N,N-diethyl-2-[2-(4-fluorophenyl)ethylamino]acetamide?
N,N-diethyl-2-[2-(4-fluorophenyl)ethylamino]acetamide has a molecular weight of 252.33 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-(4-fluorophenyl)ethylamino]acetamide is sourced from PubChem (CID 28570858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).