N'-(3-ethoxyacridin-9-yl)-2-(2,4,5-trichlorophenoxy)acetohydrazide

C23H18Cl3N3O3 — CID 15129790

IUPACN'-(3-ethoxyacridin-9-yl)-2-(2,4,5-trichlorophenoxy)acetohydrazide
SMILESCCOc1ccc2c(NNC(=O)COc3cc(Cl)c(Cl)cc3Cl)c3ccccc3nc2c1
InChIInChI=1S/C23H18Cl3N3O3/c1-2-31-13-7-8-15-20(9-13)27-19-6-4-3-5-14(19)23(15)29-28-22(30)12-32-21-11-17(25)16(24)10-18(21)26/h3-11H,2,12H2,1H3,(H,27,29)(H,28,30)
InChIKeyCKFKMGXYMQGOQN-UHFFFAOYSA-N
MW490.77 g/mol
LogP6.27
Rot. Bonds7

About N'-(3-ethoxyacridin-9-yl)-2-(2,4,5-trichlorophenoxy)acetohydrazide

N'-(3-ethoxyacridin-9-yl)-2-(2,4,5-trichlorophenoxy)acetohydrazide (PubChem CID 15129790) has the molecular formula C23H18Cl3N3O3 and a molecular weight of 490.77 g/mol. Its IUPAC name is N'-(3-ethoxyacridin-9-yl)-2-(2,4,5-trichlorophenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-(3-ethoxyacridin-9-yl)-2-(2,4,5-trichlorophenoxy)acetohydrazide
PubChem CID15129790
Molecular FormulaC23H18Cl3N3O3
Molecular Weight490.77 g/mol
Exact Mass489.04
IUPAC NameN'-(3-ethoxyacridin-9-yl)-2-(2,4,5-trichlorophenoxy)acetohydrazide
SMILESCCOc1ccc2c(NNC(=O)COc3cc(Cl)c(Cl)cc3Cl)c3ccccc3nc2c1
InChIInChI=1S/C23H18Cl3N3O3/c1-2-31-13-7-8-15-20(9-13)27-19-6-4-3-5-14(19)23(15)29-28-22(30)12-32-21-11-17(25)16(24)10-18(21)26/h3-11H,2,12H2,1H3,(H,27,29)(H,28,30)
InChIKeyCKFKMGXYMQGOQN-UHFFFAOYSA-N
XLogP6.27
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.77
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N'-acridin-9-yl-2-(3-methylphenoxy)acetohydrazide
CID 2962367
N'-(1-chloroacridin-9-yl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 15129766
2-(2,3-dimethylphenoxy)-N'-(3-methylacridin-9-yl)acetohydrazide
CID 15129776
2-(4-tert-butylphenoxy)-N'-(4-chloroacridin-9-yl)acetohydrazide
CID 134104918
2-(2-ethoxyphenoxy)-N'-(2,4,6-trichlorophenyl)acetohydrazide
CID 26251366
N-[(4-ethoxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 4164318
N-[(4-ethoxyphenyl)carbamothioyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 18525661
N-[2-(2,4,5-trichlorophenoxy)acetyl]benzamide
CID 2571070
N-(2-ethylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 5102467
N-(2,6-dichlorophenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 4278019
[2-(4-ethoxyanilino)-2-oxoethyl] 2-chloroquinoline-4-carboxylate
CID 9009892
2-(2,4-diethoxyphenyl)quinoline-4-carboxylic acid
CID 753136

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethoxyacridin-9-yl)-2-(2,4,5-trichlorophenoxy)acetohydrazide?
The IUPAC name of N'-(3-ethoxyacridin-9-yl)-2-(2,4,5-trichlorophenoxy)acetohydrazide (CID 15129790) is N'-(3-ethoxyacridin-9-yl)-2-(2,4,5-trichlorophenoxy)acetohydrazide.
What is the SMILES notation for N'-(3-ethoxyacridin-9-yl)-2-(2,4,5-trichlorophenoxy)acetohydrazide?
The canonical SMILES for N'-(3-ethoxyacridin-9-yl)-2-(2,4,5-trichlorophenoxy)acetohydrazide is CCOc1ccc2c(NNC(=O)COc3cc(Cl)c(Cl)cc3Cl)c3ccccc3nc2c1.
What is the InChIKey of N'-(3-ethoxyacridin-9-yl)-2-(2,4,5-trichlorophenoxy)acetohydrazide?
The InChIKey is CKFKMGXYMQGOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl3N3O3/c1-2-31-13-7-8-15-20(9-13)27-19-6-4-3-5-14(19)23(15)29-28-22(30)12-32-21-11-17(25)16(24)10-18(21)26/h3-11H,2,12H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N'-(3-ethoxyacridin-9-yl)-2-(2,4,5-trichlorophenoxy)acetohydrazide?
N'-(3-ethoxyacridin-9-yl)-2-(2,4,5-trichlorophenoxy)acetohydrazide has a molecular weight of 490.77 g/mol, XLogP of 6.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethoxyacridin-9-yl)-2-(2,4,5-trichlorophenoxy)acetohydrazide is sourced from PubChem (CID 15129790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).