(2S)-2-(4-fluorophenoxy)-N-(3-phenylpropyl)butanamide

C19H22FNO2 — CID 99952431

IUPAC(2S)-2-(4-fluorophenoxy)-N-(3-phenylpropyl)butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)NCCCc1ccccc1
InChIInChI=1S/C19H22FNO2/c1-2-18(23-17-12-10-16(20)11-13-17)19(22)21-14-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-13,18H,2,6,9,14H2,1H3,(H,21,22)/t18-/m0/s1
InChIKeyAAOJSZVDHLSRBM-SFHVURJKSA-N
MW315.39 g/mol
LogP3.73
Rot. Bonds8

About (2S)-2-(4-fluorophenoxy)-N-(3-phenylpropyl)butanamide

(2S)-2-(4-fluorophenoxy)-N-(3-phenylpropyl)butanamide (PubChem CID 99952431) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenoxy)-N-(3-phenylpropyl)butanamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenoxy)-N-(3-phenylpropyl)butanamide
PubChem CID99952431
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name(2S)-2-(4-fluorophenoxy)-N-(3-phenylpropyl)butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)NCCCc1ccccc1
InChIInChI=1S/C19H22FNO2/c1-2-18(23-17-12-10-16(20)11-13-17)19(22)21-14-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-13,18H,2,6,9,14H2,1H3,(H,21,22)/t18-/m0/s1
InChIKeyAAOJSZVDHLSRBM-SFHVURJKSA-N
XLogP3.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.73
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-(4-propan-2-yloxyphenyl)propyl]butanamide
CID 99951781
(2S)-N-[3-(4-fluorophenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 94012280
2-(4-chlorophenoxy)-N-(3-phenylpropyl)butanamide
CID 132651550
2-(3,4-dimethylphenoxy)-N-(3-phenylpropyl)butanamide
CID 43905383
(2S)-2-(4-fluorophenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 99954339
N-[3-(4-fluorophenyl)propyl]-2-(2-methoxyphenoxy)butanamide
CID 132652633
(2S)-2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 92683031
(2R)-N-[3-(4-fluorophenyl)propyl]-2-naphthalen-1-yloxybutanamide
CID 93487591
N-[3-(4-fluorophenyl)propyl]-2-naphthalen-1-yloxybutanamide
CID 43909517
(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide
CID 7449151
(2R)-2-(2-chlorophenoxy)-N-(3-phenylpropyl)butanamide
CID 94016511
2-(4-fluorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 46771830

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenoxy)-N-(3-phenylpropyl)butanamide?
The IUPAC name of (2S)-2-(4-fluorophenoxy)-N-(3-phenylpropyl)butanamide (CID 99952431) is (2S)-2-(4-fluorophenoxy)-N-(3-phenylpropyl)butanamide.
What is the SMILES notation for (2S)-2-(4-fluorophenoxy)-N-(3-phenylpropyl)butanamide?
The canonical SMILES for (2S)-2-(4-fluorophenoxy)-N-(3-phenylpropyl)butanamide is CC[C@H](Oc1ccc(F)cc1)C(=O)NCCCc1ccccc1.
What is the InChIKey of (2S)-2-(4-fluorophenoxy)-N-(3-phenylpropyl)butanamide?
The InChIKey is AAOJSZVDHLSRBM-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-2-18(23-17-12-10-16(20)11-13-17)19(22)21-14-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-13,18H,2,6,9,14H2,1H3,(H,21,22)/t18-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenoxy)-N-(3-phenylpropyl)butanamide?
(2S)-2-(4-fluorophenoxy)-N-(3-phenylpropyl)butanamide has a molecular weight of 315.39 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenoxy)-N-(3-phenylpropyl)butanamide is sourced from PubChem (CID 99952431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).