N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(4-methylpiperazin-1-yl)oxamide

C14H16ClF3N4O2 — CID 108515917

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(4-methylpiperazin-1-yl)oxamide
SMILESCN1CCN(NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H16ClF3N4O2/c1-21-4-6-22(7-5-21)20-13(24)12(23)19-9-2-3-11(15)10(8-9)14(16,17)18/h2-3,8H,4-7H2,1H3,(H,19,23)(H,20,24)
InChIKeySDAYJIMHEODCCA-UHFFFAOYSA-N
MW364.76 g/mol
LogP1.58
Rot. Bonds2

About N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(4-methylpiperazin-1-yl)oxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(4-methylpiperazin-1-yl)oxamide (PubChem CID 108515917) has the molecular formula C14H16ClF3N4O2 and a molecular weight of 364.76 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(4-methylpiperazin-1-yl)oxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(4-methylpiperazin-1-yl)oxamide
PubChem CID108515917
Molecular FormulaC14H16ClF3N4O2
Molecular Weight364.76 g/mol
Exact Mass364.09
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(4-methylpiperazin-1-yl)oxamide
SMILESCN1CCN(NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H16ClF3N4O2/c1-21-4-6-22(7-5-21)20-13(24)12(23)19-9-2-3-11(15)10(8-9)14(16,17)18/h2-3,8H,4-7H2,1H3,(H,19,23)(H,20,24)
InChIKeySDAYJIMHEODCCA-UHFFFAOYSA-N
XLogP1.58
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.76
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
CID 108507170
N'-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]oxamide
CID 44999026
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253974
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278398
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-morpholin-4-yl-2-oxoacetamide
CID 108509700
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168617
N'-(4-chloro-2-methylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108515804
N-(2-acetamidoethyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108515875
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-cyclohexyloxamide
CID 108504354
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958892
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108515809
N-(4-methoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
CID 44995872

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(4-methylpiperazin-1-yl)oxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(4-methylpiperazin-1-yl)oxamide (CID 108515917) is N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(4-methylpiperazin-1-yl)oxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(4-methylpiperazin-1-yl)oxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(4-methylpiperazin-1-yl)oxamide is CN1CCN(NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(4-methylpiperazin-1-yl)oxamide?
The InChIKey is SDAYJIMHEODCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N4O2/c1-21-4-6-22(7-5-21)20-13(24)12(23)19-9-2-3-11(15)10(8-9)14(16,17)18/h2-3,8H,4-7H2,1H3,(H,19,23)(H,20,24).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(4-methylpiperazin-1-yl)oxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(4-methylpiperazin-1-yl)oxamide has a molecular weight of 364.76 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(4-methylpiperazin-1-yl)oxamide is sourced from PubChem (CID 108515917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).