4-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C18H17ClF3N3O — CID 3843333

IUPAC4-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C18H17ClF3N3O/c19-14-6-2-4-8-16(14)24-9-11-25(12-10-24)17(26)23-15-7-3-1-5-13(15)18(20,21)22/h1-8H,9-12H2,(H,23,26)
InChIKeyUIHOBXSCLGHUNF-UHFFFAOYSA-N
MW383.80 g/mol
LogP4.71
Rot. Bonds2

About 4-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide

4-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 3843333) has the molecular formula C18H17ClF3N3O and a molecular weight of 383.80 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID3843333
Molecular FormulaC18H17ClF3N3O
Molecular Weight383.80 g/mol
Exact Mass383.10
IUPAC Name4-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C18H17ClF3N3O/c19-14-6-2-4-8-16(14)24-9-11-25(12-10-24)17(26)23-15-7-3-1-5-13(15)18(20,21)22/h1-8H,9-12H2,(H,23,26)
InChIKeyUIHOBXSCLGHUNF-UHFFFAOYSA-N
XLogP4.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.80
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 3843333) is 4-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide is O=C(Nc1ccccc1C(F)(F)F)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 4-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is UIHOBXSCLGHUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N3O/c19-14-6-2-4-8-16(14)24-9-11-25(12-10-24)17(26)23-15-7-3-1-5-13(15)18(20,21)22/h1-8H,9-12H2,(H,23,26).
What are the key properties of 4-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
4-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 383.80 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 3843333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).