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

C23H25ClF2N2O2 — CID 24758297

IUPACN-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3,4-difluorobenzamide
SMILESCC(C)[C@@H](NC(=O)c1ccc(F)c(F)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H25ClF2N2O2/c1-14(2)21(27-22(29)17-5-8-19(25)20(26)13-17)23(30)28-11-9-16(10-12-28)15-3-6-18(24)7-4-15/h3-8,13-14,16,21H,9-12H2,1-2H3,(H,27,29)/t21-/m1/s1
InChIKeyFYCILOJKNOGUQT-OAQYLSRUSA-N
MW434.91 g/mol
LogP4.78
Rot. Bonds5

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

N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3,4-difluorobenzamide (PubChem CID 24758297) has the molecular formula C23H25ClF2N2O2 and a molecular weight of 434.91 g/mol. Its IUPAC name is N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3,4-difluorobenzamide
PubChem CID24758297
Molecular FormulaC23H25ClF2N2O2
Molecular Weight434.91 g/mol
Exact Mass434.16
IUPAC NameN-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3,4-difluorobenzamide
SMILESCC(C)[C@@H](NC(=O)c1ccc(F)c(F)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H25ClF2N2O2/c1-14(2)21(27-22(29)17-5-8-19(25)20(26)13-17)23(30)28-11-9-16(10-12-28)15-3-6-18(24)7-4-15/h3-8,13-14,16,21H,9-12H2,1-2H3,(H,27,29)/t21-/m1/s1
InChIKeyFYCILOJKNOGUQT-OAQYLSRUSA-N
XLogP4.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.91
LogP ≤ 54.78
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]-3,4-difluorobenzamide?
The IUPAC name of N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3,4-difluorobenzamide (CID 24758297) is N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3,4-difluorobenzamide?
The canonical SMILES for N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3,4-difluorobenzamide is CC(C)[C@@H](NC(=O)c1ccc(F)c(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]-3,4-difluorobenzamide?
The InChIKey is FYCILOJKNOGUQT-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H25ClF2N2O2/c1-14(2)21(27-22(29)17-5-8-19(25)20(26)13-17)23(30)28-11-9-16(10-12-28)15-3-6-18(24)7-4-15/h3-8,13-14,16,21H,9-12H2,1-2H3,(H,27,29)/t21-/m1/s1.
What are the key properties of N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3,4-difluorobenzamide?
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3,4-difluorobenzamide has a molecular weight of 434.91 g/mol, XLogP of 4.78, 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]-3,4-difluorobenzamide is sourced from PubChem (CID 24758297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).