N-ethyl-2-[2-(3-fluorophenyl)ethylamino]acetamide

C12H17FN2O — CID 43401960

IUPACN-ethyl-2-[2-(3-fluorophenyl)ethylamino]acetamide
SMILESCCNC(=O)CNCCc1cccc(F)c1
InChIInChI=1S/C12H17FN2O/c1-2-15-12(16)9-14-7-6-10-4-3-5-11(13)8-10/h3-5,8,14H,2,6-7,9H2,1H3,(H,15,16)
InChIKeyVZPZCUSEPDKKTM-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.09
Rot. Bonds6

About N-ethyl-2-[2-(3-fluorophenyl)ethylamino]acetamide

N-ethyl-2-[2-(3-fluorophenyl)ethylamino]acetamide (PubChem CID 43401960) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is N-ethyl-2-[2-(3-fluorophenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-(3-fluorophenyl)ethylamino]acetamide
PubChem CID43401960
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC NameN-ethyl-2-[2-(3-fluorophenyl)ethylamino]acetamide
SMILESCCNC(=O)CNCCc1cccc(F)c1
InChIInChI=1S/C12H17FN2O/c1-2-15-12(16)9-14-7-6-10-4-3-5-11(13)8-10/h3-5,8,14H,2,6-7,9H2,1H3,(H,15,16)
InChIKeyVZPZCUSEPDKKTM-UHFFFAOYSA-N
XLogP1.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-fluorophenyl)ethyl]-2-(methylamino)acetamide
CID 43566280
2-(cyclopropylmethylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 60868325
N-[2-[2-(3-fluorophenyl)ethylamino]ethyl]acetamide
CID 103605841
N-ethyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]acetamide
CID 43401714
N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 119506773
2-[2-(3-fluorophenyl)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 43401971
N-ethyl-2-[4-[[2-(3-fluorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide
CID 119109393
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 41365353
2-[[N-[2-(3-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]-N-propylacetamide
CID 111395569
N-ethyl-2-(2-pyridin-4-ylethylamino)acetamide
CID 60863475
N-[2-(3-fluorophenyl)ethyl]-2-isocyanoacetamide
CID 108814904
2-(3-fluorophenyl)ethylcarbamothioic S-acid
CID 115170336

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(3-fluorophenyl)ethylamino]acetamide?
The IUPAC name of N-ethyl-2-[2-(3-fluorophenyl)ethylamino]acetamide (CID 43401960) is N-ethyl-2-[2-(3-fluorophenyl)ethylamino]acetamide.
What is the SMILES notation for N-ethyl-2-[2-(3-fluorophenyl)ethylamino]acetamide?
The canonical SMILES for N-ethyl-2-[2-(3-fluorophenyl)ethylamino]acetamide is CCNC(=O)CNCCc1cccc(F)c1.
What is the InChIKey of N-ethyl-2-[2-(3-fluorophenyl)ethylamino]acetamide?
The InChIKey is VZPZCUSEPDKKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-2-15-12(16)9-14-7-6-10-4-3-5-11(13)8-10/h3-5,8,14H,2,6-7,9H2,1H3,(H,15,16).
What are the key properties of N-ethyl-2-[2-(3-fluorophenyl)ethylamino]acetamide?
N-ethyl-2-[2-(3-fluorophenyl)ethylamino]acetamide has a molecular weight of 224.28 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(3-fluorophenyl)ethylamino]acetamide is sourced from PubChem (CID 43401960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).