N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

C15H24ClFN2O2 — CID 119737229

IUPACN-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCCN(C(=O)CNCCOC)C(C)c1ccc(F)cc1.Cl
InChIInChI=1S/C15H23FN2O2.ClH/c1-4-18(15(19)11-17-9-10-20-3)12(2)13-5-7-14(16)8-6-13;/h5-8,12,17H,4,9-11H2,1-3H3;1H
InChIKeyQVRDLHDWAWUSID-UHFFFAOYSA-N
MW318.82 g/mol
LogP2.39
Rot. Bonds8

About N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 119737229) has the molecular formula C15H24ClFN2O2 and a molecular weight of 318.82 g/mol. Its IUPAC name is N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID119737229
Molecular FormulaC15H24ClFN2O2
Molecular Weight318.82 g/mol
Exact Mass318.15
IUPAC NameN-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCCN(C(=O)CNCCOC)C(C)c1ccc(F)cc1.Cl
InChIInChI=1S/C15H23FN2O2.ClH/c1-4-18(15(19)11-17-9-10-20-3)12(2)13-5-7-14(16)8-6-13;/h5-8,12,17H,4,9-11H2,1-3H3;1H
InChIKeyQVRDLHDWAWUSID-UHFFFAOYSA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.82
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 79287578
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-oxobutanamide
CID 54876478
N-butan-2-yl-N-ethyl-2-(2-methoxyethylamino)acetamide
CID 79281144
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide
CID 119684397
N-[bis(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 119748317
N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119683673
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-methylpentanamide
CID 78892655
2-hydroxyethyl N-ethyl-N-[1-(4-fluorophenyl)ethyl]carbamate
CID 79346125
N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60794877
3-chloro-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 54875564
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950073
ethyl 4-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-4-oxobutanoate
CID 60795014

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 119737229) is N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is CCN(C(=O)CNCCOC)C(C)c1ccc(F)cc1.Cl.
What is the InChIKey of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is QVRDLHDWAWUSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2.ClH/c1-4-18(15(19)11-17-9-10-20-3)12(2)13-5-7-14(16)8-6-13;/h5-8,12,17H,4,9-11H2,1-3H3;1H.
What are the key properties of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 318.82 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119737229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).