N-[(1R)-1-(4-fluorophenyl)ethyl]-4-phenoxybutanamide

C18H20FNO2 — CID 94330096

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-4-phenoxybutanamide
SMILESC[C@@H](NC(=O)CCCOc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO2/c1-14(15-9-11-16(19)12-10-15)20-18(21)8-5-13-22-17-6-3-2-4-7-17/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyAAWPBCPCDUUWEY-CQSZACIVSA-N
MW301.36 g/mol
LogP3.86
Rot. Bonds7

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

N-[(1R)-1-(4-fluorophenyl)ethyl]-4-phenoxybutanamide (PubChem CID 94330096) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-4-phenoxybutanamide
PubChem CID94330096
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-4-phenoxybutanamide
SMILESC[C@@H](NC(=O)CCCOc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO2/c1-14(15-9-11-16(19)12-10-15)20-18(21)8-5-13-22-17-6-3-2-4-7-17/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyAAWPBCPCDUUWEY-CQSZACIVSA-N
XLogP3.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.86
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

3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 43060182
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-phenoxybutanamide
CID 100521099
6-[1-(4-fluorophenyl)ethylamino]-6-oxohexanoic acid
CID 54867660
5-[1-(4-fluorophenyl)ethylamino]-5-oxopentanoic acid
CID 60662109
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenoxy)propanamide
CID 2469859
2-[4-(4-fluorophenoxy)butanoylamino]propanoic acid
CID 43355187
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxybutanamide
CID 81349027
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141
4-phenoxy-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 127115534
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 81350119
4-phenoxy-N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]butanamide
CID 97088570
3-amino-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61247716

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-phenoxybutanamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-phenoxybutanamide (CID 94330096) is N-[(1R)-1-(4-fluorophenyl)ethyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-phenoxybutanamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-phenoxybutanamide is C[C@@H](NC(=O)CCCOc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-phenoxybutanamide?
The InChIKey is AAWPBCPCDUUWEY-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-14(15-9-11-16(19)12-10-15)20-18(21)8-5-13-22-17-6-3-2-4-7-17/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,20,21)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-phenoxybutanamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-phenoxybutanamide has a molecular weight of 301.36 g/mol, XLogP of 3.86, 7 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]-4-phenoxybutanamide is sourced from PubChem (CID 94330096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).