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

C12H17FN2O — CID 103605841

IUPACN-[2-[2-(3-fluorophenyl)ethylamino]ethyl]acetamide
SMILESCC(=O)NCCNCCc1cccc(F)c1
InChIInChI=1S/C12H17FN2O/c1-10(16)15-8-7-14-6-5-11-3-2-4-12(13)9-11/h2-4,9,14H,5-8H2,1H3,(H,15,16)
InChIKeyTYSJNVKKICKYHV-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.09
Rot. Bonds6

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

N-[2-[2-(3-fluorophenyl)ethylamino]ethyl]acetamide (PubChem CID 103605841) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)ethylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)ethylamino]ethyl]acetamide
PubChem CID103605841
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC NameN-[2-[2-(3-fluorophenyl)ethylamino]ethyl]acetamide
SMILESCC(=O)NCCNCCc1cccc(F)c1
InChIInChI=1S/C12H17FN2O/c1-10(16)15-8-7-14-6-5-11-3-2-4-12(13)9-11/h2-4,9,14H,5-8H2,1H3,(H,15,16)
InChIKeyTYSJNVKKICKYHV-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-[2-(3-methoxyphenyl)ethylamino]ethyl]acetamide
CID 107852146
N-ethyl-2-[2-(3-fluorophenyl)ethylamino]acetamide
CID 43401960
4-[2-(3-fluorophenyl)ethylamino]-2-methylbutanoic acid
CID 115220897
N-[2-(3-fluorophenyl)ethyl]-3-methylbut-2-enamide
CID 127125179
2-(3-fluorophenyl)ethylcarbamothioic S-acid
CID 115170336
N-[3-[2-(3-fluorophenyl)ethylcarbamoylamino]phenyl]acetamide
CID 51290594
N'-[2-(3-fluorophenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202153
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 61145838
N-[2-(3-fluorophenyl)ethyl]-2-(methylamino)acetamide
CID 43566280
methyl (E)-4-[2-(3-fluorophenyl)ethylamino]-2-methylbut-2-enoate
CID 103239072
1-[2-(3-fluorophenyl)ethylamino]-2-methylpropan-2-ol
CID 60885285
N-[2-[2-(2-fluorophenyl)ethylamino]ethyl]acetamide
CID 103604204

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]ethyl]acetamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]ethyl]acetamide (CID 103605841) is N-[2-[2-(3-fluorophenyl)ethylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)ethylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)ethylamino]ethyl]acetamide is CC(=O)NCCNCCc1cccc(F)c1.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)ethylamino]ethyl]acetamide?
The InChIKey is TYSJNVKKICKYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-10(16)15-8-7-14-6-5-11-3-2-4-12(13)9-11/h2-4,9,14H,5-8H2,1H3,(H,15,16).
What are the key properties of N-[2-[2-(3-fluorophenyl)ethylamino]ethyl]acetamide?
N-[2-[2-(3-fluorophenyl)ethylamino]ethyl]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-[2-[2-(3-fluorophenyl)ethylamino]ethyl]acetamide is sourced from PubChem (CID 103605841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).