4-[2-(3-chlorophenyl)ethyl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide

C19H19ClF3N3O — CID 113110975

IUPAC4-[2-(3-chlorophenyl)ethyl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)N1CCN(CCc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H19ClF3N3O/c20-14-3-1-2-13(12-14)6-7-25-8-10-26(11-9-25)19(27)24-16-5-4-15(21)17(22)18(16)23/h1-5,12H,6-11H2,(H,24,27)
InChIKeyLULHVGCSUYLOFL-UHFFFAOYSA-N
MW397.83 g/mol
LogP4.15
Rot. Bonds4

About 4-[2-(3-chlorophenyl)ethyl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide

4-[2-(3-chlorophenyl)ethyl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide (PubChem CID 113110975) has the molecular formula C19H19ClF3N3O and a molecular weight of 397.83 g/mol. Its IUPAC name is 4-[2-(3-chlorophenyl)ethyl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(3-chlorophenyl)ethyl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
PubChem CID113110975
Molecular FormulaC19H19ClF3N3O
Molecular Weight397.83 g/mol
Exact Mass397.12
IUPAC Name4-[2-(3-chlorophenyl)ethyl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)N1CCN(CCc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H19ClF3N3O/c20-14-3-1-2-13(12-14)6-7-25-8-10-26(11-9-25)19(27)24-16-5-4-15(21)17(22)18(16)23/h1-5,12H,6-11H2,(H,24,27)
InChIKeyLULHVGCSUYLOFL-UHFFFAOYSA-N
XLogP4.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.83
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-[2-(3-chlorophenyl)ethyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113110971
4-[2-(3-chlorophenyl)ethyl]-N-(2-cyanophenyl)piperazine-1-carboxamide
CID 113110972
4-[2-(3-chlorophenyl)ethyl]-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113110970
1-[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 113075178
N-(4-chloro-2-methylphenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide
CID 113109916
N-(5-chloro-2-methylphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109387
4-[2-(3-chlorophenyl)ethyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 110608445
4-[2-(3-chlorophenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110171
4-[2-(4-chlorophenyl)ethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 113109928
[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone
CID 134120763
(2R)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 9258412
N-(2-chlorophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
CID 6466390

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenyl)ethyl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-(3-chlorophenyl)ethyl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide (CID 113110975) is 4-[2-(3-chlorophenyl)ethyl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(3-chlorophenyl)ethyl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(3-chlorophenyl)ethyl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide is O=C(Nc1ccc(F)c(F)c1F)N1CCN(CCc2cccc(Cl)c2)CC1.
What is the InChIKey of 4-[2-(3-chlorophenyl)ethyl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide?
The InChIKey is LULHVGCSUYLOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N3O/c20-14-3-1-2-13(12-14)6-7-25-8-10-26(11-9-25)19(27)24-16-5-4-15(21)17(22)18(16)23/h1-5,12H,6-11H2,(H,24,27).
What are the key properties of 4-[2-(3-chlorophenyl)ethyl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide?
4-[2-(3-chlorophenyl)ethyl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide has a molecular weight of 397.83 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenyl)ethyl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113110975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).