2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide

C20H24F2N2O2 — CID 134041772

IUPAC2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)CC(=O)N(C)C(C)c2ccc(F)cc2)cc1F
InChIInChI=1S/C20H24F2N2O2/c1-14(16-6-8-17(21)9-7-16)24(3)20(25)13-23(2)12-15-5-10-19(26-4)18(22)11-15/h5-11,14H,12-13H2,1-4H3
InChIKeyZHODFLWPFKBUKT-UHFFFAOYSA-N
MW362.42 g/mol
LogP3.62
Rot. Bonds7

About 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide

2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide (PubChem CID 134041772) has the molecular formula C20H24F2N2O2 and a molecular weight of 362.42 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
PubChem CID134041772
Molecular FormulaC20H24F2N2O2
Molecular Weight362.42 g/mol
Exact Mass362.18
IUPAC Name2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)CC(=O)N(C)C(C)c2ccc(F)cc2)cc1F
InChIInChI=1S/C20H24F2N2O2/c1-14(16-6-8-17(21)9-7-16)24(3)20(25)13-23(2)12-15-5-10-19(26-4)18(22)11-15/h5-11,14H,12-13H2,1-4H3
InChIKeyZHODFLWPFKBUKT-UHFFFAOYSA-N
XLogP3.62
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide
CID 86913404
N-[1-(3,4-dimethylphenyl)ethyl]-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 46809808
2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 56815151
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 9113157
3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]butan-2-one
CID 62023874
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248
2-(3-fluoro-4-methoxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62334421
2-[(3-fluoro-4-methoxyphenyl)methyl-propan-2-ylamino]acetic acid
CID 60839990
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methoxy-N-methylethanamine
CID 47014867
2-amino-N-butan-2-yl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 112517436
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(4-hydroxyphenyl)acetamide
CID 18124502
N'-[(3-fluoro-4-methoxyphenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 54992107

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide (CID 134041772) is 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide is COc1ccc(CN(C)CC(=O)N(C)C(C)c2ccc(F)cc2)cc1F.
What is the InChIKey of 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
The InChIKey is ZHODFLWPFKBUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O2/c1-14(16-6-8-17(21)9-7-16)24(3)20(25)13-23(2)12-15-5-10-19(26-4)18(22)11-15/h5-11,14H,12-13H2,1-4H3.
What are the key properties of 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide has a molecular weight of 362.42 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 134041772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).