3,5-dibromo-4-hydroxy-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzamide

C21H15Br2N3O2 — CID 25237250

IUPAC3,5-dibromo-4-hydroxy-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzamide
SMILESCn1c2ccccc2c2cc(/C=N/NC(=O)c3cc(Br)c(O)c(Br)c3)ccc21
InChIInChI=1S/C21H15Br2N3O2/c1-26-18-5-3-2-4-14(18)15-8-12(6-7-19(15)26)11-24-25-21(28)13-9-16(22)20(27)17(23)10-13/h2-11,27H,1H3,(H,25,28)/b24-11+
InChIKeyNPYDGJWNGXTZAS-BHGWPJFGSA-N
MW501.18 g/mol
LogP5.33
Rot. Bonds3

About 3,5-dibromo-4-hydroxy-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzamide

3,5-dibromo-4-hydroxy-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzamide (PubChem CID 25237250) has the molecular formula C21H15Br2N3O2 and a molecular weight of 501.18 g/mol. Its IUPAC name is 3,5-dibromo-4-hydroxy-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3,5-dibromo-4-hydroxy-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzamide
PubChem CID25237250
Molecular FormulaC21H15Br2N3O2
Molecular Weight501.18 g/mol
Exact Mass498.95
IUPAC Name3,5-dibromo-4-hydroxy-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzamide
SMILESCn1c2ccccc2c2cc(/C=N/NC(=O)c3cc(Br)c(O)c(Br)c3)ccc21
InChIInChI=1S/C21H15Br2N3O2/c1-26-18-5-3-2-4-14(18)15-8-12(6-7-19(15)26)11-24-25-21(28)13-9-16(22)20(27)17(23)10-13/h2-11,27H,1H3,(H,25,28)/b24-11+
InChIKeyNPYDGJWNGXTZAS-BHGWPJFGSA-N
XLogP5.33
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.18
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3,5-dibromo-4-hydroxy-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(9-ethylcarbazol-3-yl)methylideneamino]-3,5-dihydroxybenzamide
CID 1011382
N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-4-iodobenzamide
CID 71554995
N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-iodobenzamide
CID 78110173
4-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]benzamide
CID 4508320
3,5-dibromo-4-hydroxy-N-[(Z)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 50858239
N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-(propanoylamino)benzamide
CID 1010292
N-[(Z)-(3-chlorophenyl)methylideneamino]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
CID 54677792
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-phenoxybenzamide
CID 136593098
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135533190
N-[(3,4-dihydroxyphenyl)methylideneamino]-1-methylindole-3-carboxamide
CID 910419
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 136858289
4-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 136789352

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-hydroxy-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzamide?
The IUPAC name of 3,5-dibromo-4-hydroxy-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzamide (CID 25237250) is 3,5-dibromo-4-hydroxy-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 3,5-dibromo-4-hydroxy-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzamide?
The canonical SMILES for 3,5-dibromo-4-hydroxy-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzamide is Cn1c2ccccc2c2cc(/C=N/NC(=O)c3cc(Br)c(O)c(Br)c3)ccc21.
What is the InChIKey of 3,5-dibromo-4-hydroxy-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzamide?
The InChIKey is NPYDGJWNGXTZAS-BHGWPJFGSA-N. The full InChI is InChI=1S/C21H15Br2N3O2/c1-26-18-5-3-2-4-14(18)15-8-12(6-7-19(15)26)11-24-25-21(28)13-9-16(22)20(27)17(23)10-13/h2-11,27H,1H3,(H,25,28)/b24-11+.
What are the key properties of 3,5-dibromo-4-hydroxy-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzamide?
3,5-dibromo-4-hydroxy-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzamide has a molecular weight of 501.18 g/mol, XLogP of 5.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-hydroxy-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 25237250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).