N-[(1R)-1-(4-fluorophenyl)ethyl]-2-propoxyacetamide

C13H18FNO2 — CID 114018739

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-2-propoxyacetamide
SMILESCCCOCC(=O)N[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO2/c1-3-8-17-9-13(16)15-10(2)11-4-6-12(14)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyNWKKBCFLRUVXSS-SNVBAGLBSA-N
MW239.29 g/mol
LogP2.43
Rot. Bonds6

About N-[(1R)-1-(4-fluorophenyl)ethyl]-2-propoxyacetamide

N-[(1R)-1-(4-fluorophenyl)ethyl]-2-propoxyacetamide (PubChem CID 114018739) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-2-propoxyacetamide
PubChem CID114018739
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-2-propoxyacetamide
SMILESCCCOCC(=O)N[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO2/c1-3-8-17-9-13(16)15-10(2)11-4-6-12(14)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyNWKKBCFLRUVXSS-SNVBAGLBSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(4-methylphenyl)ethyl]-2-propoxyacetamide
CID 107941740
N-[1-(4-aminophenyl)ethyl]-2-propoxyacetamide
CID 107937356
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-propoxyacetamide
CID 107941741
2-(2-ethoxyphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 7930315
2-(4-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561037
2-(4-ethylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561038
2-[(2-chlorophenyl)methoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 51958272
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632446
2-(2-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 16546160
N-[1-(4-fluorophenyl)ethyl]-2-piperidin-4-yloxyacetamide
CID 63876747
N-[1-(4-chlorophenyl)ethyl]-2-(2-methoxyethoxy)acetamide
CID 78797053

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-propoxyacetamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-propoxyacetamide (CID 114018739) is N-[(1R)-1-(4-fluorophenyl)ethyl]-2-propoxyacetamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-propoxyacetamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-propoxyacetamide is CCCOCC(=O)N[C@H](C)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-propoxyacetamide?
The InChIKey is NWKKBCFLRUVXSS-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-3-8-17-9-13(16)15-10(2)11-4-6-12(14)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-propoxyacetamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-propoxyacetamide has a molecular weight of 239.29 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-propoxyacetamide is sourced from PubChem (CID 114018739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).