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

C16H20FNO2 — CID 98112246

IUPAC(2S)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)propanamide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C16H20FNO2/c1-10(20-14-6-4-13(17)5-7-14)16(19)18-15-9-11-2-3-12(15)8-11/h4-7,10-12,15H,2-3,8-9H2,1H3,(H,18,19)/t10-,11+,12+,15+/m0/s1
InChIKeyNKIFEPSAPKQSQM-FUTJPDQTSA-N
MW277.34 g/mol
LogP2.90
Rot. Bonds4

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

(2S)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)propanamide (PubChem CID 98112246) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is (2S)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)propanamide
PubChem CID98112246
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name(2S)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)propanamide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C16H20FNO2/c1-10(20-14-6-4-13(17)5-7-14)16(19)18-15-9-11-2-3-12(15)8-11/h4-7,10-12,15H,2-3,8-9H2,1H3,(H,18,19)/t10-,11+,12+,15+/m0/s1
InChIKeyNKIFEPSAPKQSQM-FUTJPDQTSA-N
XLogP2.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

(2R)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)butanamide
CID 99131296
(2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(3,4-dimethylphenoxy)propanamide
CID 124834114
2-(4-fluorophenoxy)-N-(2-methylcyclohexyl)propanamide
CID 42901999
(2S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)propanamide
CID 100581699
(2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-naphthalen-1-yloxypropanamide
CID 98055966
N-cyclooctyl-2-(4-fluorophenoxy)propanamide
CID 42909316
2-(4-fluorophenoxy)-N-[2-(trifluoromethyl)cyclohexyl]propanamide
CID 43046803
(2S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-methylphenoxy)butanamide
CID 124834235
2-(4-fluorophenoxy)-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide
CID 57311087
2-(4-fluorophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 25236761
N-cyclohexyl-2-[4-(4-fluorobenzoyl)phenoxy]propanamide
CID 4817669
(2R)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-methylphenoxy)propanamide
CID 124713228

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)propanamide?
The IUPAC name of (2S)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)propanamide (CID 98112246) is (2S)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)propanamide.
What is the SMILES notation for (2S)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)propanamide?
The canonical SMILES for (2S)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)propanamide is C[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of (2S)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)propanamide?
The InChIKey is NKIFEPSAPKQSQM-FUTJPDQTSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-10(20-14-6-4-13(17)5-7-14)16(19)18-15-9-11-2-3-12(15)8-11/h4-7,10-12,15H,2-3,8-9H2,1H3,(H,18,19)/t10-,11+,12+,15+/m0/s1.
What are the key properties of (2S)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)propanamide?
(2S)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)propanamide has a molecular weight of 277.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 98112246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).