3-[1-(2-fluorophenyl)ethylamino]-N-(2-methoxyethyl)propanamide

C14H21FN2O2 — CID 112700216

IUPAC3-[1-(2-fluorophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNC(C)c1ccccc1F
InChIInChI=1S/C14H21FN2O2/c1-11(12-5-3-4-6-13(12)15)16-8-7-14(18)17-9-10-19-2/h3-6,11,16H,7-10H2,1-2H3,(H,17,18)
InChIKeyLNRKQSVTUNRWHX-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.63
Rot. Bonds8

About 3-[1-(2-fluorophenyl)ethylamino]-N-(2-methoxyethyl)propanamide

3-[1-(2-fluorophenyl)ethylamino]-N-(2-methoxyethyl)propanamide (PubChem CID 112700216) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 3-[1-(2-fluorophenyl)ethylamino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[1-(2-fluorophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
PubChem CID112700216
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name3-[1-(2-fluorophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNC(C)c1ccccc1F
InChIInChI=1S/C14H21FN2O2/c1-11(12-5-3-4-6-13(12)15)16-8-7-14(18)17-9-10-19-2/h3-6,11,16H,7-10H2,1-2H3,(H,17,18)
InChIKeyLNRKQSVTUNRWHX-UHFFFAOYSA-N
XLogP1.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluorophenyl)ethylamino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[1-(2-fluorophenyl)ethylamino]-N-(2-methoxyethyl)propanamide (CID 112700216) is 3-[1-(2-fluorophenyl)ethylamino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[1-(2-fluorophenyl)ethylamino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[1-(2-fluorophenyl)ethylamino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNC(C)c1ccccc1F.
What is the InChIKey of 3-[1-(2-fluorophenyl)ethylamino]-N-(2-methoxyethyl)propanamide?
The InChIKey is LNRKQSVTUNRWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-11(12-5-3-4-6-13(12)15)16-8-7-14(18)17-9-10-19-2/h3-6,11,16H,7-10H2,1-2H3,(H,17,18).
What are the key properties of 3-[1-(2-fluorophenyl)ethylamino]-N-(2-methoxyethyl)propanamide?
3-[1-(2-fluorophenyl)ethylamino]-N-(2-methoxyethyl)propanamide has a molecular weight of 268.33 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluorophenyl)ethylamino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 112700216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).