N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2-phenoxyethoxy)acetamide

C18H20FNO4 — CID 94806016

IUPACN-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2-phenoxyethoxy)acetamide
SMILESO=C(COCCOc1ccccc1)NC[C@@H](O)c1cccc(F)c1
InChIInChI=1S/C18H20FNO4/c19-15-6-4-5-14(11-15)17(21)12-20-18(22)13-23-9-10-24-16-7-2-1-3-8-16/h1-8,11,17,21H,9-10,12-13H2,(H,20,22)/t17-/m1/s1
InChIKeyIIELUYOPGGHCBN-QGZVFWFLSA-N
MW333.36 g/mol
LogP2.07
Rot. Bonds9

About N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2-phenoxyethoxy)acetamide

N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2-phenoxyethoxy)acetamide (PubChem CID 94806016) has the molecular formula C18H20FNO4 and a molecular weight of 333.36 g/mol. Its IUPAC name is N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2-phenoxyethoxy)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2-phenoxyethoxy)acetamide
PubChem CID94806016
Molecular FormulaC18H20FNO4
Molecular Weight333.36 g/mol
Exact Mass333.14
IUPAC NameN-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2-phenoxyethoxy)acetamide
SMILESO=C(COCCOc1ccccc1)NC[C@@H](O)c1cccc(F)c1
InChIInChI=1S/C18H20FNO4/c19-15-6-4-5-14(11-15)17(21)12-20-18(22)13-23-9-10-24-16-7-2-1-3-8-16/h1-8,11,17,21H,9-10,12-13H2,(H,20,22)/t17-/m1/s1
InChIKeyIIELUYOPGGHCBN-QGZVFWFLSA-N
XLogP2.07
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2-methylphenyl)acetamide
CID 51094283
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(methylamino)acetamide
CID 119755074
N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-phenoxyethoxy)acetamide
CID 55761188
N-[2-(methylamino)propyl]-2-(2-phenoxyethoxy)acetamide;hydrochloride
CID 120831954
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(2-phenoxyethoxy)acetamide
CID 47045190
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2,4,5-trifluorophenyl)acetamide
CID 167863503
N-(2-hydroxyethyl)-2-(2-phenoxyethoxy)acetamide
CID 78883192
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2-propoxyacetamide
CID 111108654
3-[4-(3-fluorophenoxy)butanoylamino]-2-phenylpropanoic acid
CID 119254459
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-phenoxyacetamide
CID 90613291
N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-[(1S,2R)-2-methylcyclohexyl]oxyacetamide
CID 100849468
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide
CID 90534682

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2-phenoxyethoxy)acetamide?
The IUPAC name of N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2-phenoxyethoxy)acetamide (CID 94806016) is N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2-phenoxyethoxy)acetamide.
What is the SMILES notation for N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2-phenoxyethoxy)acetamide?
The canonical SMILES for N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2-phenoxyethoxy)acetamide is O=C(COCCOc1ccccc1)NC[C@@H](O)c1cccc(F)c1.
What is the InChIKey of N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2-phenoxyethoxy)acetamide?
The InChIKey is IIELUYOPGGHCBN-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20FNO4/c19-15-6-4-5-14(11-15)17(21)12-20-18(22)13-23-9-10-24-16-7-2-1-3-8-16/h1-8,11,17,21H,9-10,12-13H2,(H,20,22)/t17-/m1/s1.
What are the key properties of N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2-phenoxyethoxy)acetamide?
N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2-phenoxyethoxy)acetamide has a molecular weight of 333.36 g/mol, XLogP of 2.07, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2-phenoxyethoxy)acetamide is sourced from PubChem (CID 94806016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).