4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]-N-propan-2-ylpiperazine-1-carboxamide

C21H25Cl2N3O — CID 44573966

IUPAC4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccccc2Cl)CC1
InChIInChI=1S/C21H25Cl2N3O/c1-15(2)24-21(27)26-13-11-25(12-14-26)20(16-7-9-17(22)10-8-16)18-5-3-4-6-19(18)23/h3-10,15,20H,11-14H2,1-2H3,(H,24,27)
InChIKeyVFGYFLXLYLUGDR-UHFFFAOYSA-N
MW406.36 g/mol
LogP4.82
Rot. Bonds4

About 4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]-N-propan-2-ylpiperazine-1-carboxamide

4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 44573966) has the molecular formula C21H25Cl2N3O and a molecular weight of 406.36 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID44573966
Molecular FormulaC21H25Cl2N3O
Molecular Weight406.36 g/mol
Exact Mass405.14
IUPAC Name4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccccc2Cl)CC1
InChIInChI=1S/C21H25Cl2N3O/c1-15(2)24-21(27)26-13-11-25(12-14-26)20(16-7-9-17(22)10-8-16)18-5-3-4-6-19(18)23/h3-10,15,20H,11-14H2,1-2H3,(H,24,27)
InChIKeyVFGYFLXLYLUGDR-UHFFFAOYSA-N
XLogP4.82
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]-N-propan-2-ylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]-N-propan-2-ylpiperazine-1-carboxamide (CID 44573966) is 4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]-N-propan-2-ylpiperazine-1-carboxamide is CC(C)NC(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccccc2Cl)CC1.
What is the InChIKey of 4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is VFGYFLXLYLUGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O/c1-15(2)24-21(27)26-13-11-25(12-14-26)20(16-7-9-17(22)10-8-16)18-5-3-4-6-19(18)23/h3-10,15,20H,11-14H2,1-2H3,(H,24,27).
What are the key properties of 4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]-N-propan-2-ylpiperazine-1-carboxamide?
4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 406.36 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 44573966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).