N-(5-chloro-2-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C19H19ClF3N3O2 — CID 1294928

IUPACN-(5-chloro-2-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H19ClF3N3O2/c1-28-17-6-5-14(20)12-16(17)24-18(27)26-9-7-25(8-10-26)15-4-2-3-13(11-15)19(21,22)23/h2-6,11-12H,7-10H2,1H3,(H,24,27)
InChIKeyZLZDHXSHYWSHFC-UHFFFAOYSA-N
MW413.83 g/mol
LogP4.72
Rot. Bonds3

About N-(5-chloro-2-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

N-(5-chloro-2-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 1294928) has the molecular formula C19H19ClF3N3O2 and a molecular weight of 413.83 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID1294928
Molecular FormulaC19H19ClF3N3O2
Molecular Weight413.83 g/mol
Exact Mass413.11
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H19ClF3N3O2/c1-28-17-6-5-14(20)12-16(17)24-18(27)26-9-7-25(8-10-26)15-4-2-3-13(11-15)19(21,22)23/h2-6,11-12H,7-10H2,1H3,(H,24,27)
InChIKeyZLZDHXSHYWSHFC-UHFFFAOYSA-N
XLogP4.72
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.83
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 1294928) is N-(5-chloro-2-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is COc1ccc(Cl)cc1NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is ZLZDHXSHYWSHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N3O2/c1-28-17-6-5-14(20)12-16(17)24-18(27)26-9-7-25(8-10-26)15-4-2-3-13(11-15)19(21,22)23/h2-6,11-12H,7-10H2,1H3,(H,24,27).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
N-(5-chloro-2-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 413.83 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 1294928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).