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

C23H24FNO2 — CID 94012280

IUPAC(2S)-N-[3-(4-fluorophenyl)propyl]-2-naphthalen-2-yloxybutanamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1ccc(F)cc1
InChIInChI=1S/C23H24FNO2/c1-2-22(27-21-14-11-18-7-3-4-8-19(18)16-21)23(26)25-15-5-6-17-9-12-20(24)13-10-17/h3-4,7-14,16,22H,2,5-6,15H2,1H3,(H,25,26)/t22-/m0/s1
InChIKeyFVFAMIGAVYTROY-QFIPXVFZSA-N
MW365.45 g/mol
LogP4.89
Rot. Bonds8

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

(2S)-N-[3-(4-fluorophenyl)propyl]-2-naphthalen-2-yloxybutanamide (PubChem CID 94012280) has the molecular formula C23H24FNO2 and a molecular weight of 365.45 g/mol. Its IUPAC name is (2S)-N-[3-(4-fluorophenyl)propyl]-2-naphthalen-2-yloxybutanamide.

Molecular Properties

Compound Name(2S)-N-[3-(4-fluorophenyl)propyl]-2-naphthalen-2-yloxybutanamide
PubChem CID94012280
Molecular FormulaC23H24FNO2
Molecular Weight365.45 g/mol
Exact Mass365.18
IUPAC Name(2S)-N-[3-(4-fluorophenyl)propyl]-2-naphthalen-2-yloxybutanamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1ccc(F)cc1
InChIInChI=1S/C23H24FNO2/c1-2-22(27-21-14-11-18-7-3-4-8-19(18)16-21)23(26)25-15-5-6-17-9-12-20(24)13-10-17/h3-4,7-14,16,22H,2,5-6,15H2,1H3,(H,25,26)/t22-/m0/s1
InChIKeyFVFAMIGAVYTROY-QFIPXVFZSA-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

(2S)-2-(4-fluorophenoxy)-N-(3-phenylpropyl)butanamide
CID 99952431
(2S)-2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide
CID 99951781
N-[3-(4-fluorophenyl)propyl]-2-naphthalen-1-yloxybutanamide
CID 43909517
(2R)-N-[3-(4-fluorophenyl)propyl]-2-naphthalen-1-yloxybutanamide
CID 93487591
N-[3-(3-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 46764115
N-[2-(4-fluorophenoxy)ethyl]-2-naphthalen-2-yloxybutanamide
CID 133240085
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 93486822
(2S)-N-[3-(2-methoxyphenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 92673251
(2S)-2-naphthalen-2-yloxy-N-pentylbutanamide
CID 92647112
N-[3-(4-fluorophenyl)propyl]-2-(2-methoxyphenoxy)butanamide
CID 132652633
(2S)-2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 92683031
2-naphthalen-2-yloxy-N-[2-(4-propylphenoxy)ethyl]butanamide
CID 133240086

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(4-fluorophenyl)propyl]-2-naphthalen-2-yloxybutanamide?
The IUPAC name of (2S)-N-[3-(4-fluorophenyl)propyl]-2-naphthalen-2-yloxybutanamide (CID 94012280) is (2S)-N-[3-(4-fluorophenyl)propyl]-2-naphthalen-2-yloxybutanamide.
What is the SMILES notation for (2S)-N-[3-(4-fluorophenyl)propyl]-2-naphthalen-2-yloxybutanamide?
The canonical SMILES for (2S)-N-[3-(4-fluorophenyl)propyl]-2-naphthalen-2-yloxybutanamide is CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1ccc(F)cc1.
What is the InChIKey of (2S)-N-[3-(4-fluorophenyl)propyl]-2-naphthalen-2-yloxybutanamide?
The InChIKey is FVFAMIGAVYTROY-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H24FNO2/c1-2-22(27-21-14-11-18-7-3-4-8-19(18)16-21)23(26)25-15-5-6-17-9-12-20(24)13-10-17/h3-4,7-14,16,22H,2,5-6,15H2,1H3,(H,25,26)/t22-/m0/s1.
What are the key properties of (2S)-N-[3-(4-fluorophenyl)propyl]-2-naphthalen-2-yloxybutanamide?
(2S)-N-[3-(4-fluorophenyl)propyl]-2-naphthalen-2-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 (2S)-N-[3-(4-fluorophenyl)propyl]-2-naphthalen-2-yloxybutanamide is sourced from PubChem (CID 94012280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).