N-(4-chloro-2-fluorophenyl)-N,4,6,6-tetramethyl-2-azabicyclo[2.2.1]heptane-2-carboxamide

C17H22ClFN2O — CID 59028797

IUPACN-(4-chloro-2-fluorophenyl)-N,4,6,6-tetramethyl-2-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCN(C(=O)N1CC2(C)CC1C(C)(C)C2)c1ccc(Cl)cc1F
InChIInChI=1S/C17H22ClFN2O/c1-16(2)9-17(3)8-14(16)21(10-17)15(22)20(4)13-6-5-11(18)7-12(13)19/h5-7,14H,8-10H2,1-4H3
InChIKeyTYFVRYZGJFCTDS-UHFFFAOYSA-N
MW324.83 g/mol
LogP4.55
Rot. Bonds1

About N-(4-chloro-2-fluorophenyl)-N,4,6,6-tetramethyl-2-azabicyclo[2.2.1]heptane-2-carboxamide

N-(4-chloro-2-fluorophenyl)-N,4,6,6-tetramethyl-2-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 59028797) has the molecular formula C17H22ClFN2O and a molecular weight of 324.83 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-N,4,6,6-tetramethyl-2-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-N,4,6,6-tetramethyl-2-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID59028797
Molecular FormulaC17H22ClFN2O
Molecular Weight324.83 g/mol
Exact Mass324.14
IUPAC NameN-(4-chloro-2-fluorophenyl)-N,4,6,6-tetramethyl-2-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCN(C(=O)N1CC2(C)CC1C(C)(C)C2)c1ccc(Cl)cc1F
InChIInChI=1S/C17H22ClFN2O/c1-16(2)9-17(3)8-14(16)21(10-17)15(22)20(4)13-6-5-11(18)7-12(13)19/h5-7,14H,8-10H2,1-4H3
InChIKeyTYFVRYZGJFCTDS-UHFFFAOYSA-N
XLogP4.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-N,4,6,6-tetramethyl-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-N,4,6,6-tetramethyl-2-azabicyclo[2.2.1]heptane-2-carboxamide (CID 59028797) is N-(4-chloro-2-fluorophenyl)-N,4,6,6-tetramethyl-2-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-N,4,6,6-tetramethyl-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-N,4,6,6-tetramethyl-2-azabicyclo[2.2.1]heptane-2-carboxamide is CN(C(=O)N1CC2(C)CC1C(C)(C)C2)c1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-N,4,6,6-tetramethyl-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is TYFVRYZGJFCTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClFN2O/c1-16(2)9-17(3)8-14(16)21(10-17)15(22)20(4)13-6-5-11(18)7-12(13)19/h5-7,14H,8-10H2,1-4H3.
What are the key properties of N-(4-chloro-2-fluorophenyl)-N,4,6,6-tetramethyl-2-azabicyclo[2.2.1]heptane-2-carboxamide?
N-(4-chloro-2-fluorophenyl)-N,4,6,6-tetramethyl-2-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 324.83 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-N,4,6,6-tetramethyl-2-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 59028797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).