(2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide

C17H18FNO3 — CID 30865784

IUPAC(2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide
SMILESC[C@H](Oc1cccc(F)c1)C(=O)NCCOc1ccccc1
InChIInChI=1S/C17H18FNO3/c1-13(22-16-9-5-6-14(18)12-16)17(20)19-10-11-21-15-7-3-2-4-8-15/h2-9,12-13H,10-11H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeySCPYMWCMHOVRIE-ZDUSSCGKSA-N
MW303.33 g/mol
LogP2.79
Rot. Bonds7

About (2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide

(2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide (PubChem CID 30865784) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is (2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide
PubChem CID30865784
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC Name(2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide
SMILESC[C@H](Oc1cccc(F)c1)C(=O)NCCOc1ccccc1
InChIInChI=1S/C17H18FNO3/c1-13(22-16-9-5-6-14(18)12-16)17(20)19-10-11-21-15-7-3-2-4-8-15/h2-9,12-13H,10-11H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeySCPYMWCMHOVRIE-ZDUSSCGKSA-N
XLogP2.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 60675242
(2R)-N-[2-(4-fluorophenoxy)ethyl]-2-(3-methylphenoxy)propanamide
CID 37363339
N-[2-(benzenesulfonamido)ethyl]-2-(3-fluorophenoxy)propanamide
CID 78852521
N-[2-(3,4-dimethylphenoxy)ethyl]-2-phenoxypropanamide
CID 133210994
2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylbutanamide
CID 110481408
(2S)-3-[2-(3-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107833758
2-chloro-2-fluoro-N-[2-(3-fluorophenoxy)ethyl]acetamide
CID 166427822
2-(2-ethylphenoxy)-N-(2-phenoxyethyl)propanamide
CID 133239770
2-bromo-N-(2-phenoxyethyl)propanamide
CID 82108617
2-(2,3-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide
CID 55686865
(2S)-2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylpentanamide
CID 110482529
(2R)-2-(3-fluorophenoxy)-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]propanamide
CID 100617899

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide?
The IUPAC name of (2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide (CID 30865784) is (2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide.
What is the SMILES notation for (2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide?
The canonical SMILES for (2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide is C[C@H](Oc1cccc(F)c1)C(=O)NCCOc1ccccc1.
What is the InChIKey of (2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide?
The InChIKey is SCPYMWCMHOVRIE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-13(22-16-9-5-6-14(18)12-16)17(20)19-10-11-21-15-7-3-2-4-8-15/h2-9,12-13H,10-11H2,1H3,(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide?
(2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide has a molecular weight of 303.33 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide is sourced from PubChem (CID 30865784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).