2-[1-(2-fluorophenyl)ethylamino]-N-pentan-3-ylacetamide

C15H23FN2O — CID 60673244

IUPAC2-[1-(2-fluorophenyl)ethylamino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNC(C)c1ccccc1F
InChIInChI=1S/C15H23FN2O/c1-4-12(5-2)18-15(19)10-17-11(3)13-8-6-7-9-14(13)16/h6-9,11-12,17H,4-5,10H2,1-3H3,(H,18,19)
InChIKeyZTIYWCPICOCHEG-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.78
Rot. Bonds7

About 2-[1-(2-fluorophenyl)ethylamino]-N-pentan-3-ylacetamide

2-[1-(2-fluorophenyl)ethylamino]-N-pentan-3-ylacetamide (PubChem CID 60673244) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)ethylamino]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)ethylamino]-N-pentan-3-ylacetamide
PubChem CID60673244
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-[1-(2-fluorophenyl)ethylamino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNC(C)c1ccccc1F
InChIInChI=1S/C15H23FN2O/c1-4-12(5-2)18-15(19)10-17-11(3)13-8-6-7-9-14(13)16/h6-9,11-12,17H,4-5,10H2,1-3H3,(H,18,19)
InChIKeyZTIYWCPICOCHEG-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 60693889
2-[1-(2-fluorophenyl)ethylamino]-N-methylacetamide
CID 43214691
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-pentan-3-ylacetamide
CID 81377630
2-[1-(2-fluorophenyl)ethylamino]-N-propylacetamide
CID 43400999
2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 16770602
N-[1-(3-chlorophenyl)ethyl]-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086132
N-benzyl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086041
N-(2-bromophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086074
N-(butylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18088433
N-(2,4-dichlorophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086055
2-[1-(2-fluorophenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 18086069
N-cycloheptyl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 60673176

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)ethylamino]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[1-(2-fluorophenyl)ethylamino]-N-pentan-3-ylacetamide (CID 60673244) is 2-[1-(2-fluorophenyl)ethylamino]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[1-(2-fluorophenyl)ethylamino]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[1-(2-fluorophenyl)ethylamino]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CNC(C)c1ccccc1F.
What is the InChIKey of 2-[1-(2-fluorophenyl)ethylamino]-N-pentan-3-ylacetamide?
The InChIKey is ZTIYWCPICOCHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-4-12(5-2)18-15(19)10-17-11(3)13-8-6-7-9-14(13)16/h6-9,11-12,17H,4-5,10H2,1-3H3,(H,18,19).
What are the key properties of 2-[1-(2-fluorophenyl)ethylamino]-N-pentan-3-ylacetamide?
2-[1-(2-fluorophenyl)ethylamino]-N-pentan-3-ylacetamide has a molecular weight of 266.36 g/mol, XLogP of 2.78, 7 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-pentan-3-ylacetamide is sourced from PubChem (CID 60673244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).