(1R,2R,4R)-N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

C20H24FNO2 — CID 46972768

IUPAC(1R,2R,4R)-N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=C(NCC1(c2ccccc2F)CCOCC1)[C@@H]1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C20H24FNO2/c21-18-4-2-1-3-17(18)20(7-9-24-10-8-20)13-22-19(23)16-12-14-5-6-15(16)11-14/h1-6,14-16H,7-13H2,(H,22,23)/t14-,15+,16-/m1/s1
InChIKeyUBRXRQKJZSYIOV-OWCLPIDISA-N
MW329.41 g/mol
LogP3.20
Rot. Bonds4

About (1R,2R,4R)-N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

(1R,2R,4R)-N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 46972768) has the molecular formula C20H24FNO2 and a molecular weight of 329.41 g/mol. Its IUPAC name is (1R,2R,4R)-N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4R)-N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID46972768
Molecular FormulaC20H24FNO2
Molecular Weight329.41 g/mol
Exact Mass329.18
IUPAC Name(1R,2R,4R)-N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=C(NCC1(c2ccccc2F)CCOCC1)[C@@H]1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C20H24FNO2/c21-18-4-2-1-3-17(18)20(7-9-24-10-8-20)13-22-19(23)16-12-14-5-6-15(16)11-14/h1-6,14-16H,7-13H2,(H,22,23)/t14-,15+,16-/m1/s1
InChIKeyUBRXRQKJZSYIOV-OWCLPIDISA-N
XLogP3.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)-N-[(4-phenyltetrahydro-2H-pyran-4-yl)methyl]acrylamide
CID 1212752
4-phenyl-N-(1-phenylpropan-2-yl)oxane-4-carboxamide
CID 2900568
4-Phenyl-tetrahydro-pyran-4-carboxylic acid isopropylamide
CID 972737
N-{[4-(4-fluorophenyl)oxan-4-yl]methyl}cyclopentanecarboxamide
CID 27450040
1-[4-(4-Fluorophenyl)oxane-4-carbonyl]-1,4-diazepan-5-one
CID 56821183
N-[(4-Phenyloxan-4-YL)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 71806730
cis-N-{[1-(2-fluorophenyl)cyclopentyl]methyl}-3-hydroxycyclohexanecarboxamide
CID 91786829
(5S,9S)-7-(oxan-4-ylmethyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 97471860
N-[2-(4-fluorophenyl)ethyl]-4-methyloxane-4-carboxamide
CID 118740482
(1-Phenylcyclopentyl)-[4-[(2,2,2-trifluoroethylamino)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 178293453
N-[[9-(1-phenylcyclopentanecarbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methyl]cyclopropanecarboxamide
CID 178294051
N-[[9-(1-phenylcyclopentanecarbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methyl]cyclohexanecarboxamide
CID 178319354

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of (1R,2R,4R)-N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 46972768) is (1R,2R,4R)-N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for (1R,2R,4R)-N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for (1R,2R,4R)-N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is O=C(NCC1(c2ccccc2F)CCOCC1)[C@@H]1C[C@@H]2C=C[C@H]1C2.
What is the InChIKey of (1R,2R,4R)-N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is UBRXRQKJZSYIOV-OWCLPIDISA-N. The full InChI is InChI=1S/C20H24FNO2/c21-18-4-2-1-3-17(18)20(7-9-24-10-8-20)13-22-19(23)16-12-14-5-6-15(16)11-14/h1-6,14-16H,7-13H2,(H,22,23)/t14-,15+,16-/m1/s1.
What are the key properties of (1R,2R,4R)-N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
(1R,2R,4R)-N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 329.41 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-N-[[4-(2-fluorophenyl)oxan-4-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 46972768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).