N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-fluorobenzamide

C23H26ClFN2O2 — CID 24758174

IUPACN-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-fluorobenzamide
SMILESCC(C)[C@@H](NC(=O)c1cccc(F)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H26ClFN2O2/c1-15(2)21(26-22(28)18-4-3-5-20(25)14-18)23(29)27-12-10-17(11-13-27)16-6-8-19(24)9-7-16/h3-9,14-15,17,21H,10-13H2,1-2H3,(H,26,28)/t21-/m1/s1
InChIKeyALVUGHOSJCUAKT-OAQYLSRUSA-N
MW416.92 g/mol
LogP4.64
Rot. Bonds5

About N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-fluorobenzamide

N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-fluorobenzamide (PubChem CID 24758174) has the molecular formula C23H26ClFN2O2 and a molecular weight of 416.92 g/mol. Its IUPAC name is N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-fluorobenzamide
PubChem CID24758174
Molecular FormulaC23H26ClFN2O2
Molecular Weight416.92 g/mol
Exact Mass416.17
IUPAC NameN-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-fluorobenzamide
SMILESCC(C)[C@@H](NC(=O)c1cccc(F)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H26ClFN2O2/c1-15(2)21(26-22(28)18-4-3-5-20(25)14-18)23(29)27-12-10-17(11-13-27)16-6-8-19(24)9-7-16/h3-9,14-15,17,21H,10-13H2,1-2H3,(H,26,28)/t21-/m1/s1
InChIKeyALVUGHOSJCUAKT-OAQYLSRUSA-N
XLogP4.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.92
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-fluorobenzamide?
The IUPAC name of N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-fluorobenzamide (CID 24758174) is N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-fluorobenzamide?
The canonical SMILES for N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-fluorobenzamide is CC(C)[C@@H](NC(=O)c1cccc(F)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-fluorobenzamide?
The InChIKey is ALVUGHOSJCUAKT-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H26ClFN2O2/c1-15(2)21(26-22(28)18-4-3-5-20(25)14-18)23(29)27-12-10-17(11-13-27)16-6-8-19(24)9-7-16/h3-9,14-15,17,21H,10-13H2,1-2H3,(H,26,28)/t21-/m1/s1.
What are the key properties of N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-fluorobenzamide?
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-fluorobenzamide has a molecular weight of 416.92 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-fluorobenzamide is sourced from PubChem (CID 24758174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).