N-(3-chloro-4-fluorophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide

C16H17ClFNO2 — CID 2966533

IUPACN-(3-chloro-4-fluorophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1CC2CCCC(C1)C2=O
InChIInChI=1S/C16H17ClFNO2/c17-13-8-12(4-5-14(13)18)19-16(21)11-6-9-2-1-3-10(7-11)15(9)20/h4-5,8-11H,1-3,6-7H2,(H,19,21)
InChIKeyFRPOLCXSADFGEC-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.81
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide

N-(3-chloro-4-fluorophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 2966533) has the molecular formula C16H17ClFNO2 and a molecular weight of 309.77 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
PubChem CID2966533
Molecular FormulaC16H17ClFNO2
Molecular Weight309.77 g/mol
Exact Mass309.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1CC2CCCC(C1)C2=O
InChIInChI=1S/C16H17ClFNO2/c17-13-8-12(4-5-14(13)18)19-16(21)11-6-9-2-1-3-10(7-11)15(9)20/h4-5,8-11H,1-3,6-7H2,(H,19,21)
InChIKeyFRPOLCXSADFGEC-UHFFFAOYSA-N
XLogP3.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide (CID 2966533) is N-(3-chloro-4-fluorophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)C1CC2CCCC(C1)C2=O.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is FRPOLCXSADFGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2/c17-13-8-12(4-5-14(13)18)19-16(21)11-6-9-2-1-3-10(7-11)15(9)20/h4-5,8-11H,1-3,6-7H2,(H,19,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 309.77 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 2966533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).