N-[2-(4-fluorophenoxy)ethyl]-2-naphthalen-2-yloxybutanamide

C22H22FNO3 — CID 133240085

IUPACN-[2-(4-fluorophenoxy)ethyl]-2-naphthalen-2-yloxybutanamide
SMILESCCC(Oc1ccc2ccccc2c1)C(=O)NCCOc1ccc(F)cc1
InChIInChI=1S/C22H22FNO3/c1-2-21(27-20-10-7-16-5-3-4-6-17(16)15-20)22(25)24-13-14-26-19-11-8-18(23)9-12-19/h3-12,15,21H,2,13-14H2,1H3,(H,24,25)
InChIKeySZXLPHZYZXJARP-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.33
Rot. Bonds8

About N-[2-(4-fluorophenoxy)ethyl]-2-naphthalen-2-yloxybutanamide

N-[2-(4-fluorophenoxy)ethyl]-2-naphthalen-2-yloxybutanamide (PubChem CID 133240085) has the molecular formula C22H22FNO3 and a molecular weight of 367.42 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-2-naphthalen-2-yloxybutanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-2-naphthalen-2-yloxybutanamide
PubChem CID133240085
Molecular FormulaC22H22FNO3
Molecular Weight367.42 g/mol
Exact Mass367.16
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-2-naphthalen-2-yloxybutanamide
SMILESCCC(Oc1ccc2ccccc2c1)C(=O)NCCOc1ccc(F)cc1
InChIInChI=1S/C22H22FNO3/c1-2-21(27-20-10-7-16-5-3-4-6-17(16)15-20)22(25)24-13-14-26-19-11-8-18(23)9-12-19/h3-12,15,21H,2,13-14H2,1H3,(H,24,25)
InChIKeySZXLPHZYZXJARP-UHFFFAOYSA-N
XLogP4.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.33
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-naphthalen-2-yloxy-N-[2-(4-propylphenoxy)ethyl]butanamide
CID 133240086
2-(3,5-dimethylphenoxy)-N-(2-naphthalen-2-yloxyethyl)butanamide
CID 133252076
(2S)-N-[3-(4-fluorophenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 94012280
2-(4-fluorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide
CID 133165278
(2S)-N-(3-ethoxypropyl)-2-naphthalen-2-yloxybutanamide
CID 92686159
2-(2-fluorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide
CID 133211113
2-(3,4-dimethylphenoxy)-N-(2-phenoxyethyl)butanamide
CID 133240011
(2S)-2-naphthalen-2-yloxy-N-pentylbutanamide
CID 92647112
2-(2-methoxyphenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide
CID 133211089
2-(4-fluoro-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide
CID 133231241
N-[2-(4-ethylphenoxy)ethyl]-2-(2-fluorophenoxy)butanamide
CID 133211115
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 93486822

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-2-naphthalen-2-yloxybutanamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-2-naphthalen-2-yloxybutanamide (CID 133240085) is N-[2-(4-fluorophenoxy)ethyl]-2-naphthalen-2-yloxybutanamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-2-naphthalen-2-yloxybutanamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-2-naphthalen-2-yloxybutanamide is CCC(Oc1ccc2ccccc2c1)C(=O)NCCOc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-2-naphthalen-2-yloxybutanamide?
The InChIKey is SZXLPHZYZXJARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO3/c1-2-21(27-20-10-7-16-5-3-4-6-17(16)15-20)22(25)24-13-14-26-19-11-8-18(23)9-12-19/h3-12,15,21H,2,13-14H2,1H3,(H,24,25).
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-2-naphthalen-2-yloxybutanamide?
N-[2-(4-fluorophenoxy)ethyl]-2-naphthalen-2-yloxybutanamide has a molecular weight of 367.42 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-2-naphthalen-2-yloxybutanamide is sourced from PubChem (CID 133240085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).