N-(4-fluorophenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide

C17H20FNO — CID 2930199

IUPACN-(4-fluorophenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
SMILESC=C1C2(C(=O)Nc3ccc(F)cc3)CCC(C2)C1(C)C
InChIInChI=1S/C17H20FNO/c1-11-16(2,3)12-8-9-17(11,10-12)15(20)19-14-6-4-13(18)5-7-14/h4-7,12H,1,8-10H2,2-3H3,(H,19,20)
InChIKeyORPNPOLCSMQLNJ-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.15
Rot. Bonds2

About N-(4-fluorophenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide

N-(4-fluorophenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 2930199) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
PubChem CID2930199
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC NameN-(4-fluorophenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
SMILESC=C1C2(C(=O)Nc3ccc(F)cc3)CCC(C2)C1(C)C
InChIInChI=1S/C17H20FNO/c1-11-16(2,3)12-8-9-17(11,10-12)15(20)19-14-6-4-13(18)5-7-14/h4-7,12H,1,8-10H2,2-3H3,(H,19,20)
InChIKeyORPNPOLCSMQLNJ-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide (CID 2930199) is N-(4-fluorophenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide is C=C1C2(C(=O)Nc3ccc(F)cc3)CCC(C2)C1(C)C.
What is the InChIKey of N-(4-fluorophenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is ORPNPOLCSMQLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-11-16(2,3)12-8-9-17(11,10-12)15(20)19-14-6-4-13(18)5-7-14/h4-7,12H,1,8-10H2,2-3H3,(H,19,20).
What are the key properties of N-(4-fluorophenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
N-(4-fluorophenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 273.35 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 2930199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).