2-[1-(2-fluorophenyl)ethylamino]-N-propylacetamide

C13H19FN2O — CID 43400999

IUPAC2-[1-(2-fluorophenyl)ethylamino]-N-propylacetamide
SMILESCCCNC(=O)CNC(C)c1ccccc1F
InChIInChI=1S/C13H19FN2O/c1-3-8-15-13(17)9-16-10(2)11-6-4-5-7-12(11)14/h4-7,10,16H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyZROCRHYXMNLTDC-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.00
Rot. Bonds6

About 2-[1-(2-fluorophenyl)ethylamino]-N-propylacetamide

2-[1-(2-fluorophenyl)ethylamino]-N-propylacetamide (PubChem CID 43400999) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)ethylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)ethylamino]-N-propylacetamide
PubChem CID43400999
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-[1-(2-fluorophenyl)ethylamino]-N-propylacetamide
SMILESCCCNC(=O)CNC(C)c1ccccc1F
InChIInChI=1S/C13H19FN2O/c1-3-8-15-13(17)9-16-10(2)11-6-4-5-7-12(11)14/h4-7,10,16H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyZROCRHYXMNLTDC-UHFFFAOYSA-N
XLogP2.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,4-difluorophenyl)ethylamino]-N-propylacetamide
CID 43401006
2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide
CID 81380351
2-[1-(2-fluorophenyl)ethylamino]-N-methylacetamide
CID 43214691
N-(butylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18088433
N-benzyl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086041
N-butan-2-yl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 60693889
2-[1-(2-fluorophenyl)ethylamino]-N-pentan-3-ylacetamide
CID 60673244
N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 81380842
2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-propylacetamide
CID 54938683
2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 16770602
2-[1-(2-fluorophenyl)ethylsulfanyl]-N-propylacetamide
CID 60541269
2-[1-(2-fluorophenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 18086069

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)ethylamino]-N-propylacetamide?
The IUPAC name of 2-[1-(2-fluorophenyl)ethylamino]-N-propylacetamide (CID 43400999) is 2-[1-(2-fluorophenyl)ethylamino]-N-propylacetamide.
What is the SMILES notation for 2-[1-(2-fluorophenyl)ethylamino]-N-propylacetamide?
The canonical SMILES for 2-[1-(2-fluorophenyl)ethylamino]-N-propylacetamide is CCCNC(=O)CNC(C)c1ccccc1F.
What is the InChIKey of 2-[1-(2-fluorophenyl)ethylamino]-N-propylacetamide?
The InChIKey is ZROCRHYXMNLTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-3-8-15-13(17)9-16-10(2)11-6-4-5-7-12(11)14/h4-7,10,16H,3,8-9H2,1-2H3,(H,15,17).
What are the key properties of 2-[1-(2-fluorophenyl)ethylamino]-N-propylacetamide?
2-[1-(2-fluorophenyl)ethylamino]-N-propylacetamide has a molecular weight of 238.31 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)ethylamino]-N-propylacetamide is sourced from PubChem (CID 43400999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).