N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2-fluorophenyl)-2-methylpropanamide

C18H23FN2O2 — CID 95157413

IUPACN-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2-fluorophenyl)-2-methylpropanamide
SMILESCN(C)[C@H](CNC(=O)C(C)(C)c1ccccc1F)c1ccco1
InChIInChI=1S/C18H23FN2O2/c1-18(2,13-8-5-6-9-14(13)19)17(22)20-12-15(21(3)4)16-10-7-11-23-16/h5-11,15H,12H2,1-4H3,(H,20,22)/t15-/m1/s1
InChIKeyLLFKAOSDRWSFIM-OAHLLOKOSA-N
MW318.39 g/mol
LogP3.12
Rot. Bonds6

About N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2-fluorophenyl)-2-methylpropanamide

N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2-fluorophenyl)-2-methylpropanamide (PubChem CID 95157413) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2-fluorophenyl)-2-methylpropanamide
PubChem CID95157413
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2-fluorophenyl)-2-methylpropanamide
SMILESCN(C)[C@H](CNC(=O)C(C)(C)c1ccccc1F)c1ccco1
InChIInChI=1S/C18H23FN2O2/c1-18(2,13-8-5-6-9-14(13)19)17(22)20-12-15(21(3)4)16-10-7-11-23-16/h5-11,15H,12H2,1-4H3,(H,20,22)/t15-/m1/s1
InChIKeyLLFKAOSDRWSFIM-OAHLLOKOSA-N
XLogP3.12
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2-fluorophenyl)-2-methylpropanamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2-fluorophenyl)-2-methylpropanamide (CID 95157413) is N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2-fluorophenyl)-2-methylpropanamide is CN(C)[C@H](CNC(=O)C(C)(C)c1ccccc1F)c1ccco1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2-fluorophenyl)-2-methylpropanamide?
The InChIKey is LLFKAOSDRWSFIM-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-18(2,13-8-5-6-9-14(13)19)17(22)20-12-15(21(3)4)16-10-7-11-23-16/h5-11,15H,12H2,1-4H3,(H,20,22)/t15-/m1/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2-fluorophenyl)-2-methylpropanamide?
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2-fluorophenyl)-2-methylpropanamide has a molecular weight of 318.39 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 95157413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).