N-[(2,4-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxaline-2-carboxamide

C17H9Cl2F3N4O — CID 2809341

IUPACN-[(2,4-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxaline-2-carboxamide
SMILESO=C(NN=Cc1ccc(Cl)cc1Cl)c1nc2ccccc2nc1C(F)(F)F
InChIInChI=1S/C17H9Cl2F3N4O/c18-10-6-5-9(11(19)7-10)8-23-26-16(27)14-15(17(20,21)22)25-13-4-2-1-3-12(13)24-14/h1-8H,(H,26,27)
InChIKeyQBJPYDUOZHEZIC-UHFFFAOYSA-N
MW413.19 g/mol
LogP4.72
Rot. Bonds3

About N-[(2,4-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxaline-2-carboxamide

N-[(2,4-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxaline-2-carboxamide (PubChem CID 2809341) has the molecular formula C17H9Cl2F3N4O and a molecular weight of 413.19 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxaline-2-carboxamide
PubChem CID2809341
Molecular FormulaC17H9Cl2F3N4O
Molecular Weight413.19 g/mol
Exact Mass412.01
IUPAC NameN-[(2,4-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxaline-2-carboxamide
SMILESO=C(NN=Cc1ccc(Cl)cc1Cl)c1nc2ccccc2nc1C(F)(F)F
InChIInChI=1S/C17H9Cl2F3N4O/c18-10-6-5-9(11(19)7-10)8-23-26-16(27)14-15(17(20,21)22)25-13-4-2-1-3-12(13)24-14/h1-8H,(H,26,27)
InChIKeyQBJPYDUOZHEZIC-UHFFFAOYSA-N
XLogP4.72
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.19
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 6894297
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide
CID 6299939
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 9176992
N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide
CID 139068920
N-[(2,4-dichlorophenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 175215299
[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242
4-[(4-chlorobenzoyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 94836336
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
CID 86809567
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5339824
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 6162520
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,3,4-trihydroxybenzamide
CID 71557223

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxaline-2-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxaline-2-carboxamide (CID 2809341) is N-[(2,4-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxaline-2-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxaline-2-carboxamide is O=C(NN=Cc1ccc(Cl)cc1Cl)c1nc2ccccc2nc1C(F)(F)F.
What is the InChIKey of N-[(2,4-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxaline-2-carboxamide?
The InChIKey is QBJPYDUOZHEZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2F3N4O/c18-10-6-5-9(11(19)7-10)8-23-26-16(27)14-15(17(20,21)22)25-13-4-2-1-3-12(13)24-14/h1-8H,(H,26,27).
What are the key properties of N-[(2,4-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxaline-2-carboxamide?
N-[(2,4-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxaline-2-carboxamide has a molecular weight of 413.19 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxaline-2-carboxamide is sourced from PubChem (CID 2809341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).