N'-(1-chloroacridin-9-yl)-2-(2,5-dimethylphenoxy)acetohydrazide

C23H20ClN3O2 — CID 15129766

IUPACN'-(1-chloroacridin-9-yl)-2-(2,5-dimethylphenoxy)acetohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNc2c3ccccc3nc3cccc(Cl)c23)c1
InChIInChI=1S/C23H20ClN3O2/c1-14-10-11-15(2)20(12-14)29-13-21(28)26-27-23-16-6-3-4-8-18(16)25-19-9-5-7-17(24)22(19)23/h3-12H,13H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyBSFFRHHJJJRGMK-UHFFFAOYSA-N
MW405.89 g/mol
LogP5.18
Rot. Bonds5

About N'-(1-chloroacridin-9-yl)-2-(2,5-dimethylphenoxy)acetohydrazide

N'-(1-chloroacridin-9-yl)-2-(2,5-dimethylphenoxy)acetohydrazide (PubChem CID 15129766) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is N'-(1-chloroacridin-9-yl)-2-(2,5-dimethylphenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-(1-chloroacridin-9-yl)-2-(2,5-dimethylphenoxy)acetohydrazide
PubChem CID15129766
Molecular FormulaC23H20ClN3O2
Molecular Weight405.89 g/mol
Exact Mass405.12
IUPAC NameN'-(1-chloroacridin-9-yl)-2-(2,5-dimethylphenoxy)acetohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNc2c3ccccc3nc3cccc(Cl)c23)c1
InChIInChI=1S/C23H20ClN3O2/c1-14-10-11-15(2)20(12-14)29-13-21(28)26-27-23-16-6-3-4-8-18(16)25-19-9-5-7-17(24)22(19)23/h3-12H,13H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyBSFFRHHJJJRGMK-UHFFFAOYSA-N
XLogP5.18
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.89
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', '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

2-(2,3-dimethylphenoxy)-N'-(3-methylacridin-9-yl)acetohydrazide
CID 15129776
N'-acridin-9-yl-2-(3-methylphenoxy)acetohydrazide
CID 2962367
N'-(3-ethoxyacridin-9-yl)-2-(2,4,5-trichlorophenoxy)acetohydrazide
CID 15129790
N'-[2-(2,5-dimethylphenoxy)acetyl]-3,3-diphenylpropanehydrazide
CID 7943424
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
2-(2-chloro-6-fluorophenyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]acetohydrazide
CID 7943410
2-(4-tert-butylphenoxy)-N'-(4-chloroacridin-9-yl)acetohydrazide
CID 134104918
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
2-(2,5-dimethylphenoxy)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 33065540
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-fluorophenoxy)acetohydrazide
CID 7943429
2-(2,5-dimethylphenoxy)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43909084

Frequently Asked Questions

What is the IUPAC name of N'-(1-chloroacridin-9-yl)-2-(2,5-dimethylphenoxy)acetohydrazide?
The IUPAC name of N'-(1-chloroacridin-9-yl)-2-(2,5-dimethylphenoxy)acetohydrazide (CID 15129766) is N'-(1-chloroacridin-9-yl)-2-(2,5-dimethylphenoxy)acetohydrazide.
What is the SMILES notation for N'-(1-chloroacridin-9-yl)-2-(2,5-dimethylphenoxy)acetohydrazide?
The canonical SMILES for N'-(1-chloroacridin-9-yl)-2-(2,5-dimethylphenoxy)acetohydrazide is Cc1ccc(C)c(OCC(=O)NNc2c3ccccc3nc3cccc(Cl)c23)c1.
What is the InChIKey of N'-(1-chloroacridin-9-yl)-2-(2,5-dimethylphenoxy)acetohydrazide?
The InChIKey is BSFFRHHJJJRGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c1-14-10-11-15(2)20(12-14)29-13-21(28)26-27-23-16-6-3-4-8-18(16)25-19-9-5-7-17(24)22(19)23/h3-12H,13H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N'-(1-chloroacridin-9-yl)-2-(2,5-dimethylphenoxy)acetohydrazide?
N'-(1-chloroacridin-9-yl)-2-(2,5-dimethylphenoxy)acetohydrazide has a molecular weight of 405.89 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-chloroacridin-9-yl)-2-(2,5-dimethylphenoxy)acetohydrazide is sourced from PubChem (CID 15129766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).