N'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide

C16H11BrClFN4O — CID 71180732

IUPACN'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide
SMILESCc1nc2cc(Br)ccc2nc1NNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C16H11BrClFN4O/c1-8-15(21-12-6-5-9(17)7-13(12)20-8)22-23-16(24)14-10(18)3-2-4-11(14)19/h2-7H,1H3,(H,21,22)(H,23,24)
InChIKeyJXTFXIWWUOILOE-UHFFFAOYSA-N
MW409.65 g/mol
LogP4.25
Rot. Bonds3

About N'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide

N'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide (PubChem CID 71180732) has the molecular formula C16H11BrClFN4O and a molecular weight of 409.65 g/mol. Its IUPAC name is N'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide
PubChem CID71180732
Molecular FormulaC16H11BrClFN4O
Molecular Weight409.65 g/mol
Exact Mass407.98
IUPAC NameN'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide
SMILESCc1nc2cc(Br)ccc2nc1NNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C16H11BrClFN4O/c1-8-15(21-12-6-5-9(17)7-13(12)20-8)22-23-16(24)14-10(18)3-2-4-11(14)19/h2-7H,1H3,(H,21,22)(H,23,24)
InChIKeyJXTFXIWWUOILOE-UHFFFAOYSA-N
XLogP4.25
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.65
LogP ≤ 54.25
H-Bond Donors ≤ 52
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'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide?
The IUPAC name of N'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide (CID 71180732) is N'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide.
What is the SMILES notation for N'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide?
The canonical SMILES for N'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide is Cc1nc2cc(Br)ccc2nc1NNC(=O)c1c(F)cccc1Cl.
What is the InChIKey of N'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide?
The InChIKey is JXTFXIWWUOILOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClFN4O/c1-8-15(21-12-6-5-9(17)7-13(12)20-8)22-23-16(24)14-10(18)3-2-4-11(14)19/h2-7H,1H3,(H,21,22)(H,23,24).
What are the key properties of N'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide?
N'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide has a molecular weight of 409.65 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-bromo-3-methylquinoxalin-2-yl)-2-chloro-6-fluorobenzohydrazide is sourced from PubChem (CID 71180732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).