1-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone

C17H18FNO2 — CID 82101484

IUPAC1-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone
SMILESCOc1ccc(CCNCC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO2/c1-21-16-8-2-13(3-9-16)10-11-19-12-17(20)14-4-6-15(18)7-5-14/h2-9,19H,10-12H2,1H3
InChIKeyWTZKYQBNJAFBJE-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.85
Rot. Bonds7

About 1-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone

1-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone (PubChem CID 82101484) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone
PubChem CID82101484
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name1-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone
SMILESCOc1ccc(CCNCC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO2/c1-21-16-8-2-13(3-9-16)10-11-19-12-17(20)14-4-6-15(18)7-5-14/h2-9,19H,10-12H2,1H3
InChIKeyWTZKYQBNJAFBJE-UHFFFAOYSA-N
XLogP2.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.85
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

1-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone
CID 82104490
3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one
CID 11586950
2-[2-(4-fluorophenyl)ethylamino]-1-(4-propan-2-ylphenyl)ethanone
CID 82101375
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2371103
4-fluoro-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 27548793
N-[2-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109000540
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109048012
2-[2-(dimethylamino)ethylamino]-1-(4-methoxyphenyl)ethanone
CID 82101862
N-[2-(4-fluorophenyl)ethyl]-N'-(4-methoxyphenyl)propanediamide
CID 108948446
ethyl 2-[2-(4-methoxyphenyl)ethylamino]acetate
CID 28574259
4-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 110297665

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone (CID 82101484) is 1-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone is COc1ccc(CCNCC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone?
The InChIKey is WTZKYQBNJAFBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-21-16-8-2-13(3-9-16)10-11-19-12-17(20)14-4-6-15(18)7-5-14/h2-9,19H,10-12H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone?
1-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone has a molecular weight of 287.33 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone is sourced from PubChem (CID 82101484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).