(1R,3S,6S,7R)-N-(2-fluorophenyl)-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide

C17H20FNO2 — CID 23375543

IUPAC(1R,3S,6S,7R)-N-(2-fluorophenyl)-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide
SMILESC[C@]12CC[C@@H]3C[C@]1(C(=O)Nc1ccccc1F)OC[C@@]32C
InChIInChI=1S/C17H20FNO2/c1-15-10-21-17(9-11(15)7-8-16(15,17)2)14(20)19-13-6-4-3-5-12(13)18/h3-6,11H,7-10H2,1-2H3,(H,19,20)/t11-,15+,16-,17-/m1/s1
InChIKeyOHKJWTRFAPRVBN-GLZXHMCRSA-N
MW289.35 g/mol
LogP3.36
Rot. Bonds2

About (1R,3S,6S,7R)-N-(2-fluorophenyl)-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide

(1R,3S,6S,7R)-N-(2-fluorophenyl)-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide (PubChem CID 23375543) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is (1R,3S,6S,7R)-N-(2-fluorophenyl)-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide.

Molecular Properties

Compound Name(1R,3S,6S,7R)-N-(2-fluorophenyl)-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide
PubChem CID23375543
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name(1R,3S,6S,7R)-N-(2-fluorophenyl)-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide
SMILESC[C@]12CC[C@@H]3C[C@]1(C(=O)Nc1ccccc1F)OC[C@@]32C
InChIInChI=1S/C17H20FNO2/c1-15-10-21-17(9-11(15)7-8-16(15,17)2)14(20)19-13-6-4-3-5-12(13)18/h3-6,11H,7-10H2,1-2H3,(H,19,20)/t11-,15+,16-,17-/m1/s1
InChIKeyOHKJWTRFAPRVBN-GLZXHMCRSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,6S,7R)-N-(2-fluorophenyl)-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide?
The IUPAC name of (1R,3S,6S,7R)-N-(2-fluorophenyl)-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide (CID 23375543) is (1R,3S,6S,7R)-N-(2-fluorophenyl)-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide.
What is the SMILES notation for (1R,3S,6S,7R)-N-(2-fluorophenyl)-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide?
The canonical SMILES for (1R,3S,6S,7R)-N-(2-fluorophenyl)-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide is C[C@]12CC[C@@H]3C[C@]1(C(=O)Nc1ccccc1F)OC[C@@]32C.
What is the InChIKey of (1R,3S,6S,7R)-N-(2-fluorophenyl)-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide?
The InChIKey is OHKJWTRFAPRVBN-GLZXHMCRSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-15-10-21-17(9-11(15)7-8-16(15,17)2)14(20)19-13-6-4-3-5-12(13)18/h3-6,11H,7-10H2,1-2H3,(H,19,20)/t11-,15+,16-,17-/m1/s1.
What are the key properties of (1R,3S,6S,7R)-N-(2-fluorophenyl)-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide?
(1R,3S,6S,7R)-N-(2-fluorophenyl)-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide has a molecular weight of 289.35 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,6S,7R)-N-(2-fluorophenyl)-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide is sourced from PubChem (CID 23375543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).