N-[2-(dimethylamino)-1-phenylethyl]-2-(3-fluorophenoxy)acetamide

C18H21FN2O2 — CID 47011877

IUPACN-[2-(dimethylamino)-1-phenylethyl]-2-(3-fluorophenoxy)acetamide
SMILESCN(C)CC(NC(=O)COc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C18H21FN2O2/c1-21(2)12-17(14-7-4-3-5-8-14)20-18(22)13-23-16-10-6-9-15(19)11-16/h3-11,17H,12-13H2,1-2H3,(H,20,22)
InChIKeyZPHXHWPKRSDNNO-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.62
Rot. Bonds7

About N-[2-(dimethylamino)-1-phenylethyl]-2-(3-fluorophenoxy)acetamide

N-[2-(dimethylamino)-1-phenylethyl]-2-(3-fluorophenoxy)acetamide (PubChem CID 47011877) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)-1-phenylethyl]-2-(3-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-1-phenylethyl]-2-(3-fluorophenoxy)acetamide
PubChem CID47011877
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC NameN-[2-(dimethylamino)-1-phenylethyl]-2-(3-fluorophenoxy)acetamide
SMILESCN(C)CC(NC(=O)COc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C18H21FN2O2/c1-21(2)12-17(14-7-4-3-5-8-14)20-18(22)13-23-16-10-6-9-15(19)11-16/h3-11,17H,12-13H2,1-2H3,(H,20,22)
InChIKeyZPHXHWPKRSDNNO-UHFFFAOYSA-N
XLogP2.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-N-[(1R)-2-(dimethylamino)-1-phenylethyl]acetamide
CID 8937450
N-[2-(dimethylamino)-1-phenylethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 24504283
2-(4-chlorophenoxy)-N-[(1R)-2-(dimethylamino)-1-phenylethyl]acetamide
CID 8936319
2-(3-fluorophenoxy)-N-propan-2-ylacetamide
CID 60626005
N-[(1S)-1-(4-bromophenyl)propyl]-2-(3-fluorophenoxy)acetamide
CID 8802046
2-(2-chlorophenoxy)-N-[(1S)-2-(dimethylamino)-1-phenylethyl]acetamide
CID 8936701
N-[(1R)-2-hydroxy-1-phenylethyl]-2-phenoxyacetamide
CID 39370051
(2R)-2-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid
CID 107563444
2-[[2-(3-fluorophenoxy)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43467655
3-[[2-(3-methylphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 45461281
2-(3-fluorophenoxy)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 17395739
(2S)-2-[[2-(3-fluorophenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 114004878

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-1-phenylethyl]-2-(3-fluorophenoxy)acetamide?
The IUPAC name of N-[2-(dimethylamino)-1-phenylethyl]-2-(3-fluorophenoxy)acetamide (CID 47011877) is N-[2-(dimethylamino)-1-phenylethyl]-2-(3-fluorophenoxy)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-1-phenylethyl]-2-(3-fluorophenoxy)acetamide?
The canonical SMILES for N-[2-(dimethylamino)-1-phenylethyl]-2-(3-fluorophenoxy)acetamide is CN(C)CC(NC(=O)COc1cccc(F)c1)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-1-phenylethyl]-2-(3-fluorophenoxy)acetamide?
The InChIKey is ZPHXHWPKRSDNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-21(2)12-17(14-7-4-3-5-8-14)20-18(22)13-23-16-10-6-9-15(19)11-16/h3-11,17H,12-13H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(dimethylamino)-1-phenylethyl]-2-(3-fluorophenoxy)acetamide?
N-[2-(dimethylamino)-1-phenylethyl]-2-(3-fluorophenoxy)acetamide has a molecular weight of 316.38 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-1-phenylethyl]-2-(3-fluorophenoxy)acetamide is sourced from PubChem (CID 47011877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).