2-[1-(4-chlorophenyl)ethyl-methylamino]-1-(2-fluorophenyl)ethanone

C17H17ClFNO — CID 62980074

IUPAC2-[1-(4-chlorophenyl)ethyl-methylamino]-1-(2-fluorophenyl)ethanone
SMILESCC(c1ccc(Cl)cc1)N(C)CC(=O)c1ccccc1F
InChIInChI=1S/C17H17ClFNO/c1-12(13-7-9-14(18)10-8-13)20(2)11-17(21)15-5-3-4-6-16(15)19/h3-10,12H,11H2,1-2H3
InChIKeyMVGBKAUXQDAEQM-UHFFFAOYSA-N
MW305.78 g/mol
LogP4.35
Rot. Bonds5

About 2-[1-(4-chlorophenyl)ethyl-methylamino]-1-(2-fluorophenyl)ethanone

2-[1-(4-chlorophenyl)ethyl-methylamino]-1-(2-fluorophenyl)ethanone (PubChem CID 62980074) has the molecular formula C17H17ClFNO and a molecular weight of 305.78 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethyl-methylamino]-1-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethyl-methylamino]-1-(2-fluorophenyl)ethanone
PubChem CID62980074
Molecular FormulaC17H17ClFNO
Molecular Weight305.78 g/mol
Exact Mass305.10
IUPAC Name2-[1-(4-chlorophenyl)ethyl-methylamino]-1-(2-fluorophenyl)ethanone
SMILESCC(c1ccc(Cl)cc1)N(C)CC(=O)c1ccccc1F
InChIInChI=1S/C17H17ClFNO/c1-12(13-7-9-14(18)10-8-13)20(2)11-17(21)15-5-3-4-6-16(15)19/h3-10,12H,11H2,1-2H3
InChIKeyMVGBKAUXQDAEQM-UHFFFAOYSA-N
XLogP4.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43219744
1-(2-fluorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]ethanone
CID 104552726
2-[1-(4-chlorophenyl)ethyl-methylamino]-1-(4-hydroxyphenyl)ethanone
CID 62980072
2-amino-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylbenzamide
CID 62979803
2-[1-(4-chlorophenyl)ethyl-methylamino]acetohydrazide
CID 63585189
2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(3,4-difluorophenyl)acetamide
CID 46573825
2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(phenylcarbamoyl)acetamide
CID 46573663
2-[1-(2-chlorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanone
CID 62980408
2-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylprop-2-en-1-amine
CID 103067829
N-(2-fluorophenyl)-2-[methyl-[1-(4-methylphenyl)ethyl]amino]acetamide
CID 78880353
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-hydroxyphenyl)-N-methylacetamide
CID 95567536
3-amino-1-(2-fluorophenyl)butan-1-one
CID 81462850

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethyl-methylamino]-1-(2-fluorophenyl)ethanone?
The IUPAC name of 2-[1-(4-chlorophenyl)ethyl-methylamino]-1-(2-fluorophenyl)ethanone (CID 62980074) is 2-[1-(4-chlorophenyl)ethyl-methylamino]-1-(2-fluorophenyl)ethanone.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethyl-methylamino]-1-(2-fluorophenyl)ethanone?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethyl-methylamino]-1-(2-fluorophenyl)ethanone is CC(c1ccc(Cl)cc1)N(C)CC(=O)c1ccccc1F.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethyl-methylamino]-1-(2-fluorophenyl)ethanone?
The InChIKey is MVGBKAUXQDAEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO/c1-12(13-7-9-14(18)10-8-13)20(2)11-17(21)15-5-3-4-6-16(15)19/h3-10,12H,11H2,1-2H3.
What are the key properties of 2-[1-(4-chlorophenyl)ethyl-methylamino]-1-(2-fluorophenyl)ethanone?
2-[1-(4-chlorophenyl)ethyl-methylamino]-1-(2-fluorophenyl)ethanone has a molecular weight of 305.78 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)ethyl-methylamino]-1-(2-fluorophenyl)ethanone is sourced from PubChem (CID 62980074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).