N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide

C22H15Br2N3O3 — CID 135900957

IUPACN-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C22H15Br2N3O3/c23-16-9-13(10-17(24)22(16)30)11-25-26-20(28)12-27-18-7-3-1-5-14(18)21(29)15-6-2-4-8-19(15)27/h1-11,30H,12H2,(H,26,28)
InChIKeyGHDXSAYXBVVAFY-UHFFFAOYSA-N
MW529.19 g/mol
LogP4.54
Rot. Bonds4

About N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide

N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 135900957) has the molecular formula C22H15Br2N3O3 and a molecular weight of 529.19 g/mol. Its IUPAC name is N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID135900957
Molecular FormulaC22H15Br2N3O3
Molecular Weight529.19 g/mol
Exact Mass526.95
IUPAC NameN-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C22H15Br2N3O3/c23-16-9-13(10-17(24)22(16)30)11-25-26-20(28)12-27-18-7-3-1-5-14(18)21(29)15-6-2-4-8-19(15)27/h1-11,30H,12H2,(H,26,28)
InChIKeyGHDXSAYXBVVAFY-UHFFFAOYSA-N
XLogP4.54
TPSA83.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.19
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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)-(3-bromophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 98005141
N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 137171999
N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 75123865
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 98005160
N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 135905091
N-[(Z)-(4-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 136829057
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 6381487
2-(9-oxoacridin-10-yl)-N-[(4-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 91970082
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 135457607
2-(benzotriazol-1-yl)-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]acetamide
CID 1219430
N-[(Z)-(3,5-dibromo-2-ethoxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 98076624
N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 26368129

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (CID 135900957) is N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1cc(Br)c(O)c(Br)c1.
What is the InChIKey of N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is GHDXSAYXBVVAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Br2N3O3/c23-16-9-13(10-17(24)22(16)30)11-25-26-20(28)12-27-18-7-3-1-5-14(18)21(29)15-6-2-4-8-19(15)27/h1-11,30H,12H2,(H,26,28).
What are the key properties of N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 529.19 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 135900957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).