2-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylacetamide

C12H17FN2O — CID 43214641

IUPAC2-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylacetamide
SMILESCC(NCC(=O)N(C)C)c1ccc(F)cc1
InChIInChI=1S/C12H17FN2O/c1-9(14-8-12(16)15(2)3)10-4-6-11(13)7-5-10/h4-7,9,14H,8H2,1-3H3
InChIKeyRHEKPPKLTICVGS-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.56
Rot. Bonds4

About 2-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylacetamide

2-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylacetamide (PubChem CID 43214641) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylacetamide
PubChem CID43214641
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylacetamide
SMILESCC(NCC(=O)N(C)C)c1ccc(F)cc1
InChIInChI=1S/C12H17FN2O/c1-9(14-8-12(16)15(2)3)10-4-6-11(13)7-5-10/h4-7,9,14H,8H2,1-3H3
InChIKeyRHEKPPKLTICVGS-UHFFFAOYSA-N
XLogP1.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]acetamide
CID 81355442
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 81348231
N,N-dimethyl-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 28564746
N,N-dimethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
CID 81405917
2-[1-(4-chloro-3-fluorophenyl)ethylamino]-N,N-dimethylacetamide
CID 83069532
N-cyclopropyl-N-ethyl-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]acetamide
CID 81347384
2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N,N-dimethylacetamide
CID 43214750
2-[1-(3,4-dichlorophenyl)ethylamino]-N,N-dimethylacetamide
CID 43214674
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 8637666
N,N-dimethyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81361311
2-[1-(1,3-benzodioxol-5-yl)ethylamino]-N,N-dimethylacetamide
CID 43310888
N,N-dimethyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetamide
CID 43214735

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylacetamide (CID 43214641) is 2-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylacetamide is CC(NCC(=O)N(C)C)c1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylacetamide?
The InChIKey is RHEKPPKLTICVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-9(14-8-12(16)15(2)3)10-4-6-11(13)7-5-10/h4-7,9,14H,8H2,1-3H3.
What are the key properties of 2-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylacetamide?
2-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylacetamide has a molecular weight of 224.28 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 43214641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).