N-[3-(4-fluorophenyl)propyl]-2-naphthalen-1-yloxybutanamide

C23H24FNO2 — CID 43909517

IUPACN-[3-(4-fluorophenyl)propyl]-2-naphthalen-1-yloxybutanamide
SMILESCCC(Oc1cccc2ccccc12)C(=O)NCCCc1ccc(F)cc1
InChIInChI=1S/C23H24FNO2/c1-2-21(27-22-11-5-9-18-8-3-4-10-20(18)22)23(26)25-16-6-7-17-12-14-19(24)15-13-17/h3-5,8-15,21H,2,6-7,16H2,1H3,(H,25,26)
InChIKeyZEORAEQQDWGUMH-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.89
Rot. Bonds8

About N-[3-(4-fluorophenyl)propyl]-2-naphthalen-1-yloxybutanamide

N-[3-(4-fluorophenyl)propyl]-2-naphthalen-1-yloxybutanamide (PubChem CID 43909517) has the molecular formula C23H24FNO2 and a molecular weight of 365.45 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)propyl]-2-naphthalen-1-yloxybutanamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)propyl]-2-naphthalen-1-yloxybutanamide
PubChem CID43909517
Molecular FormulaC23H24FNO2
Molecular Weight365.45 g/mol
Exact Mass365.18
IUPAC NameN-[3-(4-fluorophenyl)propyl]-2-naphthalen-1-yloxybutanamide
SMILESCCC(Oc1cccc2ccccc12)C(=O)NCCCc1ccc(F)cc1
InChIInChI=1S/C23H24FNO2/c1-2-21(27-22-11-5-9-18-8-3-4-10-20(18)22)23(26)25-16-6-7-17-12-14-19(24)15-13-17/h3-5,8-15,21H,2,6-7,16H2,1H3,(H,25,26)
InChIKeyZEORAEQQDWGUMH-UHFFFAOYSA-N
XLogP4.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.89
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

(2R)-N-[3-(4-fluorophenyl)propyl]-2-naphthalen-1-yloxybutanamide
CID 93487591
N-[3-(4-chlorophenyl)propyl]-2-naphthalen-1-yloxybutanamide
CID 43909206
(2S)-N-[(4-fluorophenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 92674999
N-[3-(4-fluorophenyl)propyl]-2-(2-methoxyphenoxy)butanamide
CID 132652633
(2R)-2-naphthalen-1-yloxy-N-(2-phenylethyl)butanamide
CID 92675290
(2S)-N-[3-(4-fluorophenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 94012280
(2S)-2-naphthalen-1-yloxy-N-pentylbutanamide
CID 94012357
(2R)-2-naphthalen-1-yloxy-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 94027047
(2S)-2-(4-fluorophenoxy)-N-(3-phenylpropyl)butanamide
CID 99952431
(2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-naphthalen-1-yloxybutanamide
CID 94016431
(2S)-N-ethyl-2-naphthalen-1-yloxybutanamide
CID 92675039
(2R)-N-(3-ethoxypropyl)-2-naphthalen-1-yloxybutanamide
CID 99955185

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)propyl]-2-naphthalen-1-yloxybutanamide?
The IUPAC name of N-[3-(4-fluorophenyl)propyl]-2-naphthalen-1-yloxybutanamide (CID 43909517) is N-[3-(4-fluorophenyl)propyl]-2-naphthalen-1-yloxybutanamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)propyl]-2-naphthalen-1-yloxybutanamide?
The canonical SMILES for N-[3-(4-fluorophenyl)propyl]-2-naphthalen-1-yloxybutanamide is CCC(Oc1cccc2ccccc12)C(=O)NCCCc1ccc(F)cc1.
What is the InChIKey of N-[3-(4-fluorophenyl)propyl]-2-naphthalen-1-yloxybutanamide?
The InChIKey is ZEORAEQQDWGUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO2/c1-2-21(27-22-11-5-9-18-8-3-4-10-20(18)22)23(26)25-16-6-7-17-12-14-19(24)15-13-17/h3-5,8-15,21H,2,6-7,16H2,1H3,(H,25,26).
What are the key properties of N-[3-(4-fluorophenyl)propyl]-2-naphthalen-1-yloxybutanamide?
N-[3-(4-fluorophenyl)propyl]-2-naphthalen-1-yloxybutanamide has a molecular weight of 365.45 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)propyl]-2-naphthalen-1-yloxybutanamide is sourced from PubChem (CID 43909517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).