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

C17H18ClNO2 — CID 82104490

IUPAC1-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone
SMILESCOc1ccc(CCNCC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO2/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
InChIKeyAVIPLZGPOWFHEB-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.36
Rot. Bonds7

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

1-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone (PubChem CID 82104490) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone
PubChem CID82104490
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name1-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone
SMILESCOc1ccc(CCNCC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO2/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
InChIKeyAVIPLZGPOWFHEB-UHFFFAOYSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.36
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-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone
CID 82101484
1-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanone
CID 110823596
methyl 2-[2-(4-chlorophenyl)ethylamino]acetate
CID 54033204
3-[2-(4-chlorophenyl)ethylamino]-N-(4-methoxyphenyl)propanamide
CID 109028071
4-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)butyl]-4-oxobutanamide
CID 110307812
(E)-1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethylamino]but-2-en-1-one
CID 6389116
2-[2-(dimethylamino)ethylamino]-1-(4-methoxyphenyl)ethanone
CID 82101862
2-[2-(4-chlorophenyl)ethylamino]-N-(2,5-dimethoxyphenyl)acetamide
CID 109002869
ethyl 2-[2-(4-methoxyphenyl)ethylamino]acetate
CID 28574259
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022433
N-[2-(4-chlorophenyl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000854
4-chloro-N-[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutyl]benzamide
CID 17432466

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone (CID 82104490) is 1-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone is COc1ccc(CCNCC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone?
The InChIKey is AVIPLZGPOWFHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/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-chlorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone?
1-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone has a molecular weight of 303.79 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone is sourced from PubChem (CID 82104490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).