N'-(3,5-dichlorophenyl)-2-(4-methylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]acetohydrazide

C20H21Cl2F3N4O2 — CID 25123241

IUPACN'-(3,5-dichlorophenyl)-2-(4-methylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]acetohydrazide
SMILESCN1CCN(C(C(=O)NNc2cc(Cl)cc(Cl)c2)c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C20H21Cl2F3N4O2/c1-28-6-8-29(9-7-28)18(13-2-4-17(5-3-13)31-20(23,24)25)19(30)27-26-16-11-14(21)10-15(22)12-16/h2-5,10-12,18,26H,6-9H2,1H3,(H,27,30)
InChIKeyARFBYMDTMFAEHW-UHFFFAOYSA-N
MW477.31 g/mol
LogP4.32
Rot. Bonds6

About N'-(3,5-dichlorophenyl)-2-(4-methylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]acetohydrazide

N'-(3,5-dichlorophenyl)-2-(4-methylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]acetohydrazide (PubChem CID 25123241) has the molecular formula C20H21Cl2F3N4O2 and a molecular weight of 477.31 g/mol. Its IUPAC name is N'-(3,5-dichlorophenyl)-2-(4-methylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]acetohydrazide.

Molecular Properties

Compound NameN'-(3,5-dichlorophenyl)-2-(4-methylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]acetohydrazide
PubChem CID25123241
Molecular FormulaC20H21Cl2F3N4O2
Molecular Weight477.31 g/mol
Exact Mass476.10
IUPAC NameN'-(3,5-dichlorophenyl)-2-(4-methylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]acetohydrazide
SMILESCN1CCN(C(C(=O)NNc2cc(Cl)cc(Cl)c2)c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C20H21Cl2F3N4O2/c1-28-6-8-29(9-7-28)18(13-2-4-17(5-3-13)31-20(23,24)25)19(30)27-26-16-11-14(21)10-15(22)12-16/h2-5,10-12,18,26H,6-9H2,1H3,(H,27,30)
InChIKeyARFBYMDTMFAEHW-UHFFFAOYSA-N
XLogP4.32
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.31
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]acetic acid
CID 59570503
2-dibenzothiophen-2-yl-N'-(3,5-dichlorophenyl)-2-(4-methylpiperazin-1-yl)acetohydrazide;formic acid
CID 25123246
N'-[3,5-bis(trifluoromethyl)phenyl]-2-(2,6-dimethyl-3-pyridinyl)-2-(4-methylpiperazin-1-yl)acetohydrazide
CID 86647530
N'-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]oxamide
CID 44999026
2-(4-fluorophenyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide
CID 43062013
(2S)-N-(3-chloro-4-methylphenyl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 8896671
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 8896685
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 8896689
1-(3-chlorophenyl)-3-[4-(trifluoromethoxy)anilino]urea
CID 46672807
(2S)-N-(3,5-dichlorophenyl)-2-phenyl-2-piperidin-1-ylacetamide
CID 2563626
N'-[4-(trifluoromethoxy)phenyl]acetohydrazide;hydrochloride
CID 175311511
(2S)-2-(4-propylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 9390700

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dichlorophenyl)-2-(4-methylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]acetohydrazide?
The IUPAC name of N'-(3,5-dichlorophenyl)-2-(4-methylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]acetohydrazide (CID 25123241) is N'-(3,5-dichlorophenyl)-2-(4-methylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]acetohydrazide.
What is the SMILES notation for N'-(3,5-dichlorophenyl)-2-(4-methylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]acetohydrazide?
The canonical SMILES for N'-(3,5-dichlorophenyl)-2-(4-methylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]acetohydrazide is CN1CCN(C(C(=O)NNc2cc(Cl)cc(Cl)c2)c2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of N'-(3,5-dichlorophenyl)-2-(4-methylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]acetohydrazide?
The InChIKey is ARFBYMDTMFAEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2F3N4O2/c1-28-6-8-29(9-7-28)18(13-2-4-17(5-3-13)31-20(23,24)25)19(30)27-26-16-11-14(21)10-15(22)12-16/h2-5,10-12,18,26H,6-9H2,1H3,(H,27,30).
What are the key properties of N'-(3,5-dichlorophenyl)-2-(4-methylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]acetohydrazide?
N'-(3,5-dichlorophenyl)-2-(4-methylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]acetohydrazide has a molecular weight of 477.31 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dichlorophenyl)-2-(4-methylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]acetohydrazide is sourced from PubChem (CID 25123241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).