(2R)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)butanamide

C17H22FNO2 — CID 99131296

IUPAC(2R)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)butanamide
SMILESCC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C17H22FNO2/c1-2-16(21-14-7-5-13(18)6-8-14)17(20)19-15-10-11-3-4-12(15)9-11/h5-8,11-12,15-16H,2-4,9-10H2,1H3,(H,19,20)/t11-,12-,15-,16-/m1/s1
InChIKeyPUBWJRVTOCRVOT-CZPYZCIJSA-N
MW291.37 g/mol
LogP3.29
Rot. Bonds5

About (2R)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)butanamide

(2R)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)butanamide (PubChem CID 99131296) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is (2R)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)butanamide
PubChem CID99131296
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC Name(2R)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)butanamide
SMILESCC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C17H22FNO2/c1-2-16(21-14-7-5-13(18)6-8-14)17(20)19-15-10-11-3-4-12(15)9-11/h5-8,11-12,15-16H,2-4,9-10H2,1H3,(H,19,20)/t11-,12-,15-,16-/m1/s1
InChIKeyPUBWJRVTOCRVOT-CZPYZCIJSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)butanamide with MolForge

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Related Compounds

(2S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-methylphenoxy)butanamide
CID 124834235
(2S)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)propanamide
CID 98112246
(2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-naphthalen-2-yloxybutanamide
CID 99131335
N-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylphenoxy)butanamide
CID 43916086
(2R)-N-cyclohexyl-2-(4-fluorophenoxy)butanamide
CID 28569448
N-(2-bicyclo[2.2.1]heptanyl)-2-(2,4-dimethylphenoxy)butanamide
CID 53289081
(2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,5-dimethylphenoxy)butanamide
CID 99131455
(2R)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 98056613
(2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-fluorophenoxy)butanamide
CID 35181634
(2R)-2-(4-fluorophenoxy)butanoyl chloride
CID 51980396
(2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(3,4-dimethylphenoxy)propanamide
CID 124834114
(2R)-2-(4-fluorophenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100569000

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)butanamide?
The IUPAC name of (2R)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)butanamide (CID 99131296) is (2R)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)butanamide.
What is the SMILES notation for (2R)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)butanamide?
The canonical SMILES for (2R)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)butanamide is CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of (2R)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)butanamide?
The InChIKey is PUBWJRVTOCRVOT-CZPYZCIJSA-N. The full InChI is InChI=1S/C17H22FNO2/c1-2-16(21-14-7-5-13(18)6-8-14)17(20)19-15-10-11-3-4-12(15)9-11/h5-8,11-12,15-16H,2-4,9-10H2,1H3,(H,19,20)/t11-,12-,15-,16-/m1/s1.
What are the key properties of (2R)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)butanamide?
(2R)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)butanamide has a molecular weight of 291.37 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)butanamide is sourced from PubChem (CID 99131296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).