N-(2-fluorophenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide

C17H20FNO2 — CID 2920777

IUPACN-(2-fluorophenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCC12CCC(C(=O)Nc3ccccc3F)(CC1=O)C2(C)C
InChIInChI=1S/C17H20FNO2/c1-15(2)16(3)8-9-17(15,10-13(16)20)14(21)19-12-7-5-4-6-11(12)18/h4-7H,8-10H2,1-3H3,(H,19,21)
InChIKeyCBGXENVQPGIOEM-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.55
Rot. Bonds2

About N-(2-fluorophenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide

N-(2-fluorophenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 2920777) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
PubChem CID2920777
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC NameN-(2-fluorophenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCC12CCC(C(=O)Nc3ccccc3F)(CC1=O)C2(C)C
InChIInChI=1S/C17H20FNO2/c1-15(2)16(3)8-9-17(15,10-13(16)20)14(21)19-12-7-5-4-6-11(12)18/h4-7H,8-10H2,1-3H3,(H,19,21)
InChIKeyCBGXENVQPGIOEM-UHFFFAOYSA-N
XLogP3.55
TPSA46.17 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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (CID 2920777) is N-(2-fluorophenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is CC12CCC(C(=O)Nc3ccccc3F)(CC1=O)C2(C)C.
What is the InChIKey of N-(2-fluorophenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is CBGXENVQPGIOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-15(2)16(3)8-9-17(15,10-13(16)20)14(21)19-12-7-5-4-6-11(12)18/h4-7H,8-10H2,1-3H3,(H,19,21).
What are the key properties of N-(2-fluorophenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
N-(2-fluorophenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 289.35 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 2920777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).