4-(2,3-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C18H16Cl2F3N3O — CID 162655843

IUPAC4-(2,3-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C18H16Cl2F3N3O/c19-14-2-1-3-15(16(14)20)25-8-10-26(11-9-25)17(27)24-13-6-4-12(5-7-13)18(21,22)23/h1-7H,8-11H2,(H,24,27)
InChIKeyMOIIOKKSSBOEED-UHFFFAOYSA-N
MW418.25 g/mol
LogP5.37
Rot. Bonds2

About 4-(2,3-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

4-(2,3-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 162655843) has the molecular formula C18H16Cl2F3N3O and a molecular weight of 418.25 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID162655843
Molecular FormulaC18H16Cl2F3N3O
Molecular Weight418.25 g/mol
Exact Mass417.06
IUPAC Name4-(2,3-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C18H16Cl2F3N3O/c19-14-2-1-3-15(16(14)20)25-8-10-26(11-9-25)17(27)24-13-6-4-12(5-7-13)18(21,22)23/h1-7H,8-11H2,(H,24,27)
InChIKeyMOIIOKKSSBOEED-UHFFFAOYSA-N
XLogP5.37
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.25
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2,3-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-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-(2,3-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2,3-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 162655843) is 4-(2,3-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,3-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2,3-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 4-(2,3-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is MOIIOKKSSBOEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2F3N3O/c19-14-2-1-3-15(16(14)20)25-8-10-26(11-9-25)17(27)24-13-6-4-12(5-7-13)18(21,22)23/h1-7H,8-11H2,(H,24,27).
What are the key properties of 4-(2,3-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
4-(2,3-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 418.25 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 162655843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).