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

C18H17ClF3N3O — CID 1079406

IUPACN-(2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H17ClF3N3O/c19-15-6-1-2-7-16(15)23-17(26)25-10-8-24(9-11-25)14-5-3-4-13(12-14)18(20,21)22/h1-7,12H,8-11H2,(H,23,26)
InChIKeyHHLGYMNKUPPIBP-UHFFFAOYSA-N
MW383.80 g/mol
LogP4.71
Rot. Bonds2

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

N-(2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 1079406) has the molecular formula C18H17ClF3N3O and a molecular weight of 383.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID1079406
Molecular FormulaC18H17ClF3N3O
Molecular Weight383.80 g/mol
Exact Mass383.10
IUPAC NameN-(2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H17ClF3N3O/c19-15-6-1-2-7-16(15)23-17(26)25-10-8-24(9-11-25)14-5-3-4-13(12-14)18(20,21)22/h1-7,12H,8-11H2,(H,23,26)
InChIKeyHHLGYMNKUPPIBP-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 N-(2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 1079406) is N-(2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is O=C(Nc1ccccc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-(2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is HHLGYMNKUPPIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N3O/c19-15-6-1-2-7-16(15)23-17(26)25-10-8-24(9-11-25)14-5-3-4-13(12-14)18(20,21)22/h1-7,12H,8-11H2,(H,23,26).
What are the key properties of N-(2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
N-(2-chlorophenyl)-4-[3-(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 N-(2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 1079406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).