N-benzyl-2-[1-(2-fluorophenyl)ethylamino]acetamide

C17H19FN2O — CID 18086041

IUPACN-benzyl-2-[1-(2-fluorophenyl)ethylamino]acetamide
SMILESCC(NCC(=O)NCc1ccccc1)c1ccccc1F
InChIInChI=1S/C17H19FN2O/c1-13(15-9-5-6-10-16(15)18)19-12-17(21)20-11-14-7-3-2-4-8-14/h2-10,13,19H,11-12H2,1H3,(H,20,21)
InChIKeyKOYPQEMOEIXOBB-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.79
Rot. Bonds6

About N-benzyl-2-[1-(2-fluorophenyl)ethylamino]acetamide

N-benzyl-2-[1-(2-fluorophenyl)ethylamino]acetamide (PubChem CID 18086041) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-benzyl-2-[1-(2-fluorophenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[1-(2-fluorophenyl)ethylamino]acetamide
PubChem CID18086041
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-benzyl-2-[1-(2-fluorophenyl)ethylamino]acetamide
SMILESCC(NCC(=O)NCc1ccccc1)c1ccccc1F
InChIInChI=1S/C17H19FN2O/c1-13(15-9-5-6-10-16(15)18)19-12-17(21)20-11-14-7-3-2-4-8-14/h2-10,13,19H,11-12H2,1H3,(H,20,21)
InChIKeyKOYPQEMOEIXOBB-UHFFFAOYSA-N
XLogP2.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-[[(1S)-1-(2-bromophenyl)ethyl]amino]acetamide
CID 81378591
2-[1-(2-fluorophenyl)ethylamino]-N-propylacetamide
CID 43400999
2-[1-(2-fluorophenyl)ethylamino]-N-methylacetamide
CID 43214691
N-[(4-chlorophenyl)methyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396902
2-[1-(2-fluorophenyl)ethylamino]-N-pentan-3-ylacetamide
CID 60673244
N-butan-2-yl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 60693889
2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide
CID 81380351
2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 16770602
N-[(2-fluorophenyl)methyl]-2-(1-phenylethylamino)acetamide
CID 78695034
N-benzyl-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8917782
3-[[2-(benzylamino)-2-oxoethyl]amino]butanoic acid
CID 54881576
2-[1-(2-fluorophenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 18086069

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1-(2-fluorophenyl)ethylamino]acetamide?
The IUPAC name of N-benzyl-2-[1-(2-fluorophenyl)ethylamino]acetamide (CID 18086041) is N-benzyl-2-[1-(2-fluorophenyl)ethylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[1-(2-fluorophenyl)ethylamino]acetamide?
The canonical SMILES for N-benzyl-2-[1-(2-fluorophenyl)ethylamino]acetamide is CC(NCC(=O)NCc1ccccc1)c1ccccc1F.
What is the InChIKey of N-benzyl-2-[1-(2-fluorophenyl)ethylamino]acetamide?
The InChIKey is KOYPQEMOEIXOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-13(15-9-5-6-10-16(15)18)19-12-17(21)20-11-14-7-3-2-4-8-14/h2-10,13,19H,11-12H2,1H3,(H,20,21).
What are the key properties of N-benzyl-2-[1-(2-fluorophenyl)ethylamino]acetamide?
N-benzyl-2-[1-(2-fluorophenyl)ethylamino]acetamide has a molecular weight of 286.35 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-(2-fluorophenyl)ethylamino]acetamide is sourced from PubChem (CID 18086041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).