2-[4-[1-(2-fluorophenyl)ethylamino]phenyl]-N-methylacetamide

C17H19FN2O — CID 43714074

IUPAC2-[4-[1-(2-fluorophenyl)ethylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(NC(C)c2ccccc2F)cc1
InChIInChI=1S/C17H19FN2O/c1-12(15-5-3-4-6-16(15)18)20-14-9-7-13(8-10-14)11-17(21)19-2/h3-10,12,20H,11H2,1-2H3,(H,19,21)
InChIKeyVKZHBFWDWQJXSB-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.29
Rot. Bonds5

About 2-[4-[1-(2-fluorophenyl)ethylamino]phenyl]-N-methylacetamide

2-[4-[1-(2-fluorophenyl)ethylamino]phenyl]-N-methylacetamide (PubChem CID 43714074) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-[4-[1-(2-fluorophenyl)ethylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[1-(2-fluorophenyl)ethylamino]phenyl]-N-methylacetamide
PubChem CID43714074
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name2-[4-[1-(2-fluorophenyl)ethylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(NC(C)c2ccccc2F)cc1
InChIInChI=1S/C17H19FN2O/c1-12(15-5-3-4-6-16(15)18)20-14-9-7-13(8-10-14)11-17(21)19-2/h3-10,12,20H,11H2,1-2H3,(H,19,21)
InChIKeyVKZHBFWDWQJXSB-UHFFFAOYSA-N
XLogP3.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-fluorophenyl)ethylamino]-N-methylacetamide
CID 43214691
4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]aniline
CID 29291765
2-[4-[[2-(2-fluorophenyl)acetyl]amino]phenyl]-N-methylacetamide
CID 35364792
N-methyl-2-[4-[1-(4-methylphenyl)ethylamino]phenyl]acetamide
CID 43714072
N-[4-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166421340
2-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-N-methylacetamide
CID 43714113
N-[(1R)-1-(2-fluorophenyl)ethyl]pyridin-4-amine
CID 94222755
methyl N-[4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]phenyl]-N-methylcarbamate
CID 95624540
methyl N-[4-[1-(2-fluorophenyl)ethylamino]phenyl]-N-methylcarbamate
CID 56788830
[3-[1-(2-fluorophenyl)ethylamino]phenyl]methanol
CID 43715146
N-methyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide
CID 63991666
3-fluoro-N-[1-(2-fluorophenyl)ethyl]-4-methylaniline
CID 43195584

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2-fluorophenyl)ethylamino]phenyl]-N-methylacetamide?
The IUPAC name of 2-[4-[1-(2-fluorophenyl)ethylamino]phenyl]-N-methylacetamide (CID 43714074) is 2-[4-[1-(2-fluorophenyl)ethylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[1-(2-fluorophenyl)ethylamino]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-[1-(2-fluorophenyl)ethylamino]phenyl]-N-methylacetamide is CNC(=O)Cc1ccc(NC(C)c2ccccc2F)cc1.
What is the InChIKey of 2-[4-[1-(2-fluorophenyl)ethylamino]phenyl]-N-methylacetamide?
The InChIKey is VKZHBFWDWQJXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-12(15-5-3-4-6-16(15)18)20-14-9-7-13(8-10-14)11-17(21)19-2/h3-10,12,20H,11H2,1-2H3,(H,19,21).
What are the key properties of 2-[4-[1-(2-fluorophenyl)ethylamino]phenyl]-N-methylacetamide?
2-[4-[1-(2-fluorophenyl)ethylamino]phenyl]-N-methylacetamide has a molecular weight of 286.35 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2-fluorophenyl)ethylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 43714074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).