3-acetamido-N-[2-(2-fluorophenoxy)ethyl]-3-phenylpropanamide

C19H21FN2O3 — CID 4784816

IUPAC3-acetamido-N-[2-(2-fluorophenoxy)ethyl]-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)NCCOc1ccccc1F)c1ccccc1
InChIInChI=1S/C19H21FN2O3/c1-14(23)22-17(15-7-3-2-4-8-15)13-19(24)21-11-12-25-18-10-6-5-9-16(18)20/h2-10,17H,11-13H2,1H3,(H,21,24)(H,22,23)
InChIKeyGYDSGAYGDDPQRT-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.59
Rot. Bonds8

About 3-acetamido-N-[2-(2-fluorophenoxy)ethyl]-3-phenylpropanamide

3-acetamido-N-[2-(2-fluorophenoxy)ethyl]-3-phenylpropanamide (PubChem CID 4784816) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-acetamido-N-[2-(2-fluorophenoxy)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(2-fluorophenoxy)ethyl]-3-phenylpropanamide
PubChem CID4784816
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name3-acetamido-N-[2-(2-fluorophenoxy)ethyl]-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)NCCOc1ccccc1F)c1ccccc1
InChIInChI=1S/C19H21FN2O3/c1-14(23)22-17(15-7-3-2-4-8-15)13-19(24)21-11-12-25-18-10-6-5-9-16(18)20/h2-10,17H,11-13H2,1H3,(H,21,24)(H,22,23)
InChIKeyGYDSGAYGDDPQRT-UHFFFAOYSA-N
XLogP2.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.59
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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Related Compounds

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CID 56926682
(6S,9R,12R)-6-cyclopropyl-12-[(4-fluorophenyl)methyl]-4,8,9-trimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(2-fluorophenoxy)ethyl]-3-phenylpropanamide?
The IUPAC name of 3-acetamido-N-[2-(2-fluorophenoxy)ethyl]-3-phenylpropanamide (CID 4784816) is 3-acetamido-N-[2-(2-fluorophenoxy)ethyl]-3-phenylpropanamide.
What is the SMILES notation for 3-acetamido-N-[2-(2-fluorophenoxy)ethyl]-3-phenylpropanamide?
The canonical SMILES for 3-acetamido-N-[2-(2-fluorophenoxy)ethyl]-3-phenylpropanamide is CC(=O)NC(CC(=O)NCCOc1ccccc1F)c1ccccc1.
What is the InChIKey of 3-acetamido-N-[2-(2-fluorophenoxy)ethyl]-3-phenylpropanamide?
The InChIKey is GYDSGAYGDDPQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-14(23)22-17(15-7-3-2-4-8-15)13-19(24)21-11-12-25-18-10-6-5-9-16(18)20/h2-10,17H,11-13H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 3-acetamido-N-[2-(2-fluorophenoxy)ethyl]-3-phenylpropanamide?
3-acetamido-N-[2-(2-fluorophenoxy)ethyl]-3-phenylpropanamide has a molecular weight of 344.39 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(2-fluorophenoxy)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 4784816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).