N',2-dimethyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide

C18H15F3N4O — CID 1470918

IUPACN',2-dimethyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide
SMILESCc1ccccc1C(=O)NN(C)c1nc2ccccc2nc1C(F)(F)F
InChIInChI=1S/C18H15F3N4O/c1-11-7-3-4-8-12(11)17(26)24-25(2)16-15(18(19,20)21)22-13-9-5-6-10-14(13)23-16/h3-10H,1-2H3,(H,24,26)
InChIKeyPOCREAFIBPVMBR-UHFFFAOYSA-N
MW360.34 g/mol
LogP3.74
Rot. Bonds3

About N',2-dimethyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide

N',2-dimethyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide (PubChem CID 1470918) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is N',2-dimethyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide.

Molecular Properties

Compound NameN',2-dimethyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide
PubChem CID1470918
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC NameN',2-dimethyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide
SMILESCc1ccccc1C(=O)NN(C)c1nc2ccccc2nc1C(F)(F)F
InChIInChI=1S/C18H15F3N4O/c1-11-7-3-4-8-12(11)17(26)24-25(2)16-15(18(19,20)21)22-13-9-5-6-10-14(13)23-16/h3-10H,1-2H3,(H,24,26)
InChIKeyPOCREAFIBPVMBR-UHFFFAOYSA-N
XLogP3.74
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide?
The IUPAC name of N',2-dimethyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide (CID 1470918) is N',2-dimethyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide.
What is the SMILES notation for N',2-dimethyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide?
The canonical SMILES for N',2-dimethyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide is Cc1ccccc1C(=O)NN(C)c1nc2ccccc2nc1C(F)(F)F.
What is the InChIKey of N',2-dimethyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide?
The InChIKey is POCREAFIBPVMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c1-11-7-3-4-8-12(11)17(26)24-25(2)16-15(18(19,20)21)22-13-9-5-6-10-14(13)23-16/h3-10H,1-2H3,(H,24,26).
What are the key properties of N',2-dimethyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide?
N',2-dimethyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide has a molecular weight of 360.34 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide is sourced from PubChem (CID 1470918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).