2-(2-fluorophenyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide

C18H22FNO — CID 124794619

IUPAC2-(2-fluorophenyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
SMILESO=C(Cc1ccccc1F)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]21
InChIInChI=1S/C18H22FNO/c19-16-7-2-1-4-11(16)10-18(21)20-17-9-12-8-15(17)14-6-3-5-13(12)14/h1-2,4,7,12-15,17H,3,5-6,8-10H2,(H,20,21)/t12-,13+,14+,15+,17-/m1/s1
InChIKeySIIBRWNMNXBZEI-JLHDYFKBSA-N
MW287.38 g/mol
LogP3.31
Rot. Bonds3

About 2-(2-fluorophenyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide

2-(2-fluorophenyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide (PubChem CID 124794619) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
PubChem CID124794619
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name2-(2-fluorophenyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
SMILESO=C(Cc1ccccc1F)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]21
InChIInChI=1S/C18H22FNO/c19-16-7-2-1-4-11(16)10-18(21)20-17-9-12-8-15(17)14-6-3-5-13(12)14/h1-2,4,7,12-15,17H,3,5-6,8-10H2,(H,20,21)/t12-,13+,14+,15+,17-/m1/s1
InChIKeySIIBRWNMNXBZEI-JLHDYFKBSA-N
XLogP3.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
CID 129419034
2-fluoro-6-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]phenol
CID 115951364
2-(2-phenoxyethoxy)-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
CID 124786370
2-(2-phenoxyethoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
CID 124786369
1-(2-phenylethyl)-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea
CID 124739144
1-(2-phenylethyl)-3-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea
CID 124739142
6-amino-N-(8-tricyclo[5.2.1.02,6]decanyl)hexanamide
CID 43710195
N-[(2-methylphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43223708
2-(2-nitrophenoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
CID 124780220
cis-methyl (1R,2S)-2-[[2-(2-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate
CID 97028755
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1S,2R,6S,7R,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
CID 98365516
2-(2-fluorophenyl)-N-[4-(hydroxymethyl)cyclohexyl]acetamide
CID 115270081

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide (CID 124794619) is 2-(2-fluorophenyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide is O=C(Cc1ccccc1F)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]21.
What is the InChIKey of 2-(2-fluorophenyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide?
The InChIKey is SIIBRWNMNXBZEI-JLHDYFKBSA-N. The full InChI is InChI=1S/C18H22FNO/c19-16-7-2-1-4-11(16)10-18(21)20-17-9-12-8-15(17)14-6-3-5-13(12)14/h1-2,4,7,12-15,17H,3,5-6,8-10H2,(H,20,21)/t12-,13+,14+,15+,17-/m1/s1.
What are the key properties of 2-(2-fluorophenyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide?
2-(2-fluorophenyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide has a molecular weight of 287.38 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide is sourced from PubChem (CID 124794619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).