N'-[3,5-bis(trifluoromethyl)phenyl]-2-(2-chlorophenyl)-2-piperazin-1-ylacetohydrazide;hydrochloride

C20H20Cl2F6N4O — CID 25125574

IUPACN'-[3,5-bis(trifluoromethyl)phenyl]-2-(2-chlorophenyl)-2-piperazin-1-ylacetohydrazide;hydrochloride
SMILESCl.O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1Cl)N1CCNCC1
InChIInChI=1S/C20H19ClF6N4O.ClH/c21-16-4-2-1-3-15(16)17(31-7-5-28-6-8-31)18(32)30-29-14-10-12(19(22,23)24)9-13(11-14)20(25,26)27;/h1-4,9-11,17,28-29H,5-8H2,(H,30,32);1H
InChIKeyCUJUTSDTLABPST-UHFFFAOYSA-N
MW517.30 g/mol
LogP4.89
Rot. Bonds5

About N'-[3,5-bis(trifluoromethyl)phenyl]-2-(2-chlorophenyl)-2-piperazin-1-ylacetohydrazide;hydrochloride

N'-[3,5-bis(trifluoromethyl)phenyl]-2-(2-chlorophenyl)-2-piperazin-1-ylacetohydrazide;hydrochloride (PubChem CID 25125574) has the molecular formula C20H20Cl2F6N4O and a molecular weight of 517.30 g/mol. Its IUPAC name is N'-[3,5-bis(trifluoromethyl)phenyl]-2-(2-chlorophenyl)-2-piperazin-1-ylacetohydrazide;hydrochloride.

Molecular Properties

Compound NameN'-[3,5-bis(trifluoromethyl)phenyl]-2-(2-chlorophenyl)-2-piperazin-1-ylacetohydrazide;hydrochloride
PubChem CID25125574
Molecular FormulaC20H20Cl2F6N4O
Molecular Weight517.30 g/mol
Exact Mass516.09
IUPAC NameN'-[3,5-bis(trifluoromethyl)phenyl]-2-(2-chlorophenyl)-2-piperazin-1-ylacetohydrazide;hydrochloride
SMILESCl.O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1Cl)N1CCNCC1
InChIInChI=1S/C20H19ClF6N4O.ClH/c21-16-4-2-1-3-15(16)17(31-7-5-28-6-8-31)18(32)30-29-14-10-12(19(22,23)24)9-13(11-14)20(25,26)27;/h1-4,9-11,17,28-29H,5-8H2,(H,30,32);1H
InChIKeyCUJUTSDTLABPST-UHFFFAOYSA-N
XLogP4.89
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.30
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[3,5-bis(trifluoromethyl)anilino]-1-(2-chlorophenyl)-1-piperidin-1-ylpropan-2-one
CID 59570525
N'-[3,5-bis(trifluoromethyl)phenyl]-2-(2,6-dimethyl-3-pyridinyl)-2-(4-methylpiperazin-1-yl)acetohydrazide
CID 86647530
N'-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-2-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetohydrazide
CID 70834580
1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride
CID 171292767
1-[(1R)-1-(2-chlorophenyl)-2,2,2-trifluoroethyl]piperazine
CID 171180957
1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171292788
1-[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171280166
(3R)-3-[2-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoro-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171180577
1-[(S)-[2-chloro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171292780
1-[(1S)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride
CID 171279937
1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride
CID 171177157
(2R)-2-(2-chlorophenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183556

Frequently Asked Questions

What is the IUPAC name of N'-[3,5-bis(trifluoromethyl)phenyl]-2-(2-chlorophenyl)-2-piperazin-1-ylacetohydrazide;hydrochloride?
The IUPAC name of N'-[3,5-bis(trifluoromethyl)phenyl]-2-(2-chlorophenyl)-2-piperazin-1-ylacetohydrazide;hydrochloride (CID 25125574) is N'-[3,5-bis(trifluoromethyl)phenyl]-2-(2-chlorophenyl)-2-piperazin-1-ylacetohydrazide;hydrochloride.
What is the SMILES notation for N'-[3,5-bis(trifluoromethyl)phenyl]-2-(2-chlorophenyl)-2-piperazin-1-ylacetohydrazide;hydrochloride?
The canonical SMILES for N'-[3,5-bis(trifluoromethyl)phenyl]-2-(2-chlorophenyl)-2-piperazin-1-ylacetohydrazide;hydrochloride is Cl.O=C(NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1Cl)N1CCNCC1.
What is the InChIKey of N'-[3,5-bis(trifluoromethyl)phenyl]-2-(2-chlorophenyl)-2-piperazin-1-ylacetohydrazide;hydrochloride?
The InChIKey is CUJUTSDTLABPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF6N4O.ClH/c21-16-4-2-1-3-15(16)17(31-7-5-28-6-8-31)18(32)30-29-14-10-12(19(22,23)24)9-13(11-14)20(25,26)27;/h1-4,9-11,17,28-29H,5-8H2,(H,30,32);1H.
What are the key properties of N'-[3,5-bis(trifluoromethyl)phenyl]-2-(2-chlorophenyl)-2-piperazin-1-ylacetohydrazide;hydrochloride?
N'-[3,5-bis(trifluoromethyl)phenyl]-2-(2-chlorophenyl)-2-piperazin-1-ylacetohydrazide;hydrochloride has a molecular weight of 517.30 g/mol, XLogP of 4.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3,5-bis(trifluoromethyl)phenyl]-2-(2-chlorophenyl)-2-piperazin-1-ylacetohydrazide;hydrochloride is sourced from PubChem (CID 25125574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).