N-[(Z)-(3,5-dibromo-2-ethoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide

C24H19Br2N3O3 — CID 98076624

IUPACN-[(Z)-(3,5-dibromo-2-ethoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
SMILESCCOc1c(Br)cc(Br)cc1/C=N\NC(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C24H19Br2N3O3/c1-2-32-24-15(11-16(25)12-19(24)26)13-27-28-22(30)14-29-20-9-5-3-7-17(20)23(31)18-8-4-6-10-21(18)29/h3-13H,2,14H2,1H3,(H,28,30)/b27-13-
InChIKeyQRDIXWOFDYRZCI-WKIKZPBSSA-N
MW557.24 g/mol
LogP5.23
Rot. Bonds6

About N-[(Z)-(3,5-dibromo-2-ethoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide

N-[(Z)-(3,5-dibromo-2-ethoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 98076624) has the molecular formula C24H19Br2N3O3 and a molecular weight of 557.24 g/mol. Its IUPAC name is N-[(Z)-(3,5-dibromo-2-ethoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-dibromo-2-ethoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID98076624
Molecular FormulaC24H19Br2N3O3
Molecular Weight557.24 g/mol
Exact Mass554.98
IUPAC NameN-[(Z)-(3,5-dibromo-2-ethoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
SMILESCCOc1c(Br)cc(Br)cc1/C=N\NC(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C24H19Br2N3O3/c1-2-32-24-15(11-16(25)12-19(24)26)13-27-28-22(30)14-29-20-9-5-3-7-17(20)23(31)18-8-4-6-10-21(18)29/h3-13H,2,14H2,1H3,(H,28,30)/b27-13-
InChIKeyQRDIXWOFDYRZCI-WKIKZPBSSA-N
XLogP5.23
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.24
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 137171999
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 98005141
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 135900957
N-(3-bromo-2-ethoxy-5-fluorophenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 25333504
N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 135905091
N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 75123865
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 6381487
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 98005160
N-[(E)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 5341858
4-acetamido-N-[(3,5-dibromo-2-ethoxyphenyl)methylideneamino]benzamide
CID 3493462
N-[(Z)-(3,5-diiodo-2-prop-2-ynoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 126341317
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 135457607

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dibromo-2-ethoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[(Z)-(3,5-dibromo-2-ethoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (CID 98076624) is N-[(Z)-(3,5-dibromo-2-ethoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[(Z)-(3,5-dibromo-2-ethoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[(Z)-(3,5-dibromo-2-ethoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is CCOc1c(Br)cc(Br)cc1/C=N\NC(=O)Cn1c2ccccc2c(=O)c2ccccc21.
What is the InChIKey of N-[(Z)-(3,5-dibromo-2-ethoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is QRDIXWOFDYRZCI-WKIKZPBSSA-N. The full InChI is InChI=1S/C24H19Br2N3O3/c1-2-32-24-15(11-16(25)12-19(24)26)13-27-28-22(30)14-29-20-9-5-3-7-17(20)23(31)18-8-4-6-10-21(18)29/h3-13H,2,14H2,1H3,(H,28,30)/b27-13-.
What are the key properties of N-[(Z)-(3,5-dibromo-2-ethoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
N-[(Z)-(3,5-dibromo-2-ethoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 557.24 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-dibromo-2-ethoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 98076624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).