4-chloro-N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide

C17H12ClF3N4O — CID 1470936

IUPAC4-chloro-N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide
SMILESCN(NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2nc1C(F)(F)F
InChIInChI=1S/C17H12ClF3N4O/c1-25(24-16(26)10-6-8-11(18)9-7-10)15-14(17(19,20)21)22-12-4-2-3-5-13(12)23-15/h2-9H,1H3,(H,24,26)
InChIKeyIUKFDRTTWBMOPF-UHFFFAOYSA-N
MW380.76 g/mol
LogP4.08
Rot. Bonds3

About 4-chloro-N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide

4-chloro-N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide (PubChem CID 1470936) has the molecular formula C17H12ClF3N4O and a molecular weight of 380.76 g/mol. Its IUPAC name is 4-chloro-N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide
PubChem CID1470936
Molecular FormulaC17H12ClF3N4O
Molecular Weight380.76 g/mol
Exact Mass380.07
IUPAC Name4-chloro-N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide
SMILESCN(NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2nc1C(F)(F)F
InChIInChI=1S/C17H12ClF3N4O/c1-25(24-16(26)10-6-8-11(18)9-7-10)15-14(17(19,20)21)22-12-4-2-3-5-13(12)23-15/h2-9H,1H3,(H,24,26)
InChIKeyIUKFDRTTWBMOPF-UHFFFAOYSA-N
XLogP4.08
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.76
LogP ≤ 54.08
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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Related Compounds

N',2-dimethyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide
CID 1470918
4-chloro-N'-methyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]benzohydrazide
CID 6413186
N'-(3-benzylquinoxalin-2-yl)benzohydrazide
CID 118731254
N'-(3-benzylquinoxalin-2-yl)-4-chlorobenzohydrazide
CID 118731255
N'-methyl-N'-[3-(trifluoromethyl)-2-quinoxalinyl]benzenecarbohydrazide
CID 3326253
4-methyl-N'-[3-(trifluoromethyl)-2-quinoxalinyl]benzenecarbohydrazide
CID 3774974
N'-[3-(trifluoromethyl)-2-quinoxalinyl]benzenecarbohydrazide
CID 4322148
N',4-dimethyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide
CID 4341782
3-chloro-N'-methyl-N'-quinoxalin-2-ylpyridine-4-carbohydrazide
CID 2742117
4-chloro-N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide
CID 139224370
4-amino-N'-(3-chloroquinoxalin-2-yl)benzohydrazide
CID 178297001
4-amino-N'-(3-methylquinoxalin-2-yl)benzohydrazide
CID 178320431

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide?
The IUPAC name of 4-chloro-N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide (CID 1470936) is 4-chloro-N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide is CN(NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2nc1C(F)(F)F.
What is the InChIKey of 4-chloro-N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide?
The InChIKey is IUKFDRTTWBMOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N4O/c1-25(24-16(26)10-6-8-11(18)9-7-10)15-14(17(19,20)21)22-12-4-2-3-5-13(12)23-15/h2-9H,1H3,(H,24,26).
What are the key properties of 4-chloro-N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide?
4-chloro-N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide has a molecular weight of 380.76 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide is sourced from PubChem (CID 1470936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).