(1R,7R)-7-(2-fluoroethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide

C18H22FNO — CID 137436224

IUPAC(1R,7R)-7-(2-fluoroethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESNC(=O)C12CC3C[C@](c4ccccc4)(C1)C[C@@]2(CCF)C3
InChIInChI=1S/C18H22FNO/c19-7-6-17-9-13-8-16(11-17,14-4-2-1-3-5-14)12-18(17,10-13)15(20)21/h1-5,13H,6-12H2,(H2,20,21)/t13?,16-,17-,18?/m1/s1
InChIKeyDHNYGXGPDGROIR-KJFXSAIASA-N
MW287.38 g/mol
LogP3.35
Rot. Bonds4

About (1R,7R)-7-(2-fluoroethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide

(1R,7R)-7-(2-fluoroethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide (PubChem CID 137436224) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is (1R,7R)-7-(2-fluoroethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide.

Molecular Properties

Compound Name(1R,7R)-7-(2-fluoroethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
PubChem CID137436224
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name(1R,7R)-7-(2-fluoroethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESNC(=O)C12CC3C[C@](c4ccccc4)(C1)C[C@@]2(CCF)C3
InChIInChI=1S/C18H22FNO/c19-7-6-17-9-13-8-16(11-17,14-4-2-1-3-5-14)12-18(17,10-13)15(20)21/h1-5,13H,6-12H2,(H2,20,21)/t13?,16-,17-,18?/m1/s1
InChIKeyDHNYGXGPDGROIR-KJFXSAIASA-N
XLogP3.35
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,7R)-7-(2-fluoroethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The IUPAC name of (1R,7R)-7-(2-fluoroethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide (CID 137436224) is (1R,7R)-7-(2-fluoroethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide.
What is the SMILES notation for (1R,7R)-7-(2-fluoroethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The canonical SMILES for (1R,7R)-7-(2-fluoroethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide is NC(=O)C12CC3C[C@](c4ccccc4)(C1)C[C@@]2(CCF)C3.
What is the InChIKey of (1R,7R)-7-(2-fluoroethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The InChIKey is DHNYGXGPDGROIR-KJFXSAIASA-N. The full InChI is InChI=1S/C18H22FNO/c19-7-6-17-9-13-8-16(11-17,14-4-2-1-3-5-14)12-18(17,10-13)15(20)21/h1-5,13H,6-12H2,(H2,20,21)/t13?,16-,17-,18?/m1/s1.
What are the key properties of (1R,7R)-7-(2-fluoroethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
(1R,7R)-7-(2-fluoroethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide has a molecular weight of 287.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7R)-7-(2-fluoroethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide is sourced from PubChem (CID 137436224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).