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

C22H15Br2N3O3 — CID 136829058

IUPACN-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C\c1cc(Br)cc(Br)c1O
InChIInChI=1S/C22H15Br2N3O3/c23-14-9-13(21(29)17(24)10-14)11-25-26-20(28)12-27-18-7-3-1-5-15(18)22(30)16-6-2-4-8-19(16)27/h1-11,29H,12H2,(H,26,28)/b25-11-
InChIKeyKLPDDGCRDFUKST-GATIEOLUSA-N
MW529.19 g/mol
LogP4.54
Rot. Bonds4

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

N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 136829058) has the molecular formula C22H15Br2N3O3 and a molecular weight of 529.19 g/mol. Its IUPAC name is N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID136829058
Molecular FormulaC22H15Br2N3O3
Molecular Weight529.19 g/mol
Exact Mass526.95
IUPAC NameN-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C\c1cc(Br)cc(Br)c1O
InChIInChI=1S/C22H15Br2N3O3/c23-14-9-13(21(29)17(24)10-14)11-25-26-20(28)12-27-18-7-3-1-5-15(18)22(30)16-6-2-4-8-19(16)27/h1-11,29H,12H2,(H,26,28)/b25-11-
InChIKeyKLPDDGCRDFUKST-GATIEOLUSA-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_A(479)', '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

Centmitor-1
CID 135489933
2-(((2-(5-BR-2-Hydroxybenzylidene)hydrazino)(oxo)acetyl)amino)-N-phenylbenzamide
CID 136806685
N-(3-{[(2E)-2-(3,5-dibromo-2-hydroxybenzylidene)hydrazinyl]carbonyl}phenyl)-4-fluorobenzamide
CID 135419940
N'-[(E)-(2-Hydroxyphenyl)methylidene]-2-(9-oxo-9,10-dihydroacridin-10-YL)acetohydrazide
CID 135683432
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[(4-fluorobenzoyl)amino]benzamide
CID 4273845
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-[(4-fluorobenzoyl)amino]benzamide
CID 4541006
3,5-dibromo-N-[(Z)-(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-hydroxybenzamide
CID 50859285
3,5-dibromo-N-[(Z)-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-hydroxybenzamide
CID 50861281
3,5-dibromo-N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-hydroxybenzamide
CID 50863221
N-{(1Z)-3-[(2E)-2-(3,5-dibromo-2-hydroxybenzylidene)hydrazinyl]-1-[4-(dimethylamino)phenyl]-3-oxoprop-1-en-2-yl}-3-fluorobenzamide
CID 135578931
N-[2-({2-[(E)-1-(3,5-Dibromo-2-hydroxyphenyl)methylidene]hydrazino}carbonyl)phenyl]-4-fluorobenzamide
CID 135683981
N-[3-[2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1-[4-(dimethylamino)phenyl]-3-oxoprop-1-en-2-yl]-3-fluorobenzamide
CID 136258875

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (CID 136829058) is N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C\c1cc(Br)cc(Br)c1O.
What is the InChIKey of N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is KLPDDGCRDFUKST-GATIEOLUSA-N. The full InChI is InChI=1S/C22H15Br2N3O3/c23-14-9-13(21(29)17(24)10-14)11-25-26-20(28)12-27-18-7-3-1-5-15(18)22(30)16-6-2-4-8-19(16)27/h1-11,29H,12H2,(H,26,28)/b25-11-.
What are the key properties of N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
N-[(Z)-(3,5-dibromo-2-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-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 136829058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).