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

C24H28Cl2N2O2 — CID 24758518

IUPAC2-(3-chlorophenyl)-N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide
SMILESCC(C)[C@@H](NC(=O)Cc1cccc(Cl)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H28Cl2N2O2/c1-16(2)23(27-22(29)15-17-4-3-5-21(26)14-17)24(30)28-12-10-19(11-13-28)18-6-8-20(25)9-7-18/h3-9,14,16,19,23H,10-13,15H2,1-2H3,(H,27,29)/t23-/m1/s1
InChIKeyKRYCCBLVGQUESB-HSZRJFAPSA-N
MW447.41 g/mol
LogP5.08
Rot. Bonds6

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

2-(3-chlorophenyl)-N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide (PubChem CID 24758518) has the molecular formula C24H28Cl2N2O2 and a molecular weight of 447.41 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide
PubChem CID24758518
Molecular FormulaC24H28Cl2N2O2
Molecular Weight447.41 g/mol
Exact Mass446.15
IUPAC Name2-(3-chlorophenyl)-N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide
SMILESCC(C)[C@@H](NC(=O)Cc1cccc(Cl)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H28Cl2N2O2/c1-16(2)23(27-22(29)15-17-4-3-5-21(26)14-17)24(30)28-12-10-19(11-13-28)18-6-8-20(25)9-7-18/h3-9,14,16,19,23H,10-13,15H2,1-2H3,(H,27,29)/t23-/m1/s1
InChIKeyKRYCCBLVGQUESB-HSZRJFAPSA-N
XLogP5.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.41
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide (CID 24758518) is 2-(3-chlorophenyl)-N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide is CC(C)[C@@H](NC(=O)Cc1cccc(Cl)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide?
The InChIKey is KRYCCBLVGQUESB-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H28Cl2N2O2/c1-16(2)23(27-22(29)15-17-4-3-5-21(26)14-17)24(30)28-12-10-19(11-13-28)18-6-8-20(25)9-7-18/h3-9,14,16,19,23H,10-13,15H2,1-2H3,(H,27,29)/t23-/m1/s1.
What are the key properties of 2-(3-chlorophenyl)-N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide?
2-(3-chlorophenyl)-N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide has a molecular weight of 447.41 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 24758518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).