N-[4-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]phenyl]-3-methylbenzamide

C23H20Br2N2O3 — CID 3100006

IUPACN-[4-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]phenyl]-3-methylbenzamide
SMILESCCOc1cc(Br)c(Br)c(/C=N/c2ccc(NC(=O)c3cccc(C)c3)cc2)c1O
InChIInChI=1S/C23H20Br2N2O3/c1-3-30-20-12-19(24)21(25)18(22(20)28)13-26-16-7-9-17(10-8-16)27-23(29)15-6-4-5-14(2)11-15/h4-13,28H,3H2,1-2H3,(H,27,29)/b26-13+
InChIKeyPYNZXEUMBNRQLL-LGJNPRDNSA-N
MW532.23 g/mol
LogP6.63
Rot. Bonds6

About N-[4-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]phenyl]-3-methylbenzamide

N-[4-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]phenyl]-3-methylbenzamide (PubChem CID 3100006) has the molecular formula C23H20Br2N2O3 and a molecular weight of 532.23 g/mol. Its IUPAC name is N-[4-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]phenyl]-3-methylbenzamide
PubChem CID3100006
Molecular FormulaC23H20Br2N2O3
Molecular Weight532.23 g/mol
Exact Mass529.98
IUPAC NameN-[4-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]phenyl]-3-methylbenzamide
SMILESCCOc1cc(Br)c(Br)c(/C=N/c2ccc(NC(=O)c3cccc(C)c3)cc2)c1O
InChIInChI=1S/C23H20Br2N2O3/c1-3-30-20-12-19(24)21(25)18(22(20)28)13-26-16-7-9-17(10-8-16)27-23(29)15-6-4-5-14(2)11-15/h4-13,28H,3H2,1-2H3,(H,27,29)/b26-13+
InChIKeyPYNZXEUMBNRQLL-LGJNPRDNSA-N
XLogP6.63
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.23
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]phenyl]-3-methylbenzamide 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-[4-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]-4-iodobenzamide
CID 3342367
3,4-dibromo-2-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-6-ethoxyphenol
CID 4630823
3,4-dibromo-6-ethoxy-2-[(2-hydroxy-5-methylphenyl)iminomethyl]phenol
CID 5024698
N-[4-[(3-ethoxybenzoyl)amino]phenyl]-3-methylbenzamide
CID 1361715
3-bromo-N-[3-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]phenyl]-4-methylbenzamide
CID 3098933
N-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 4518563
N-[(Z)-(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 135891670
N-[(E)-(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 139301914
N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-3-methylbenzamide
CID 137051313
2-bromo-N-[3-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]benzamide
CID 3717476
N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide
CID 1095399
2-ethoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide
CID 1228354

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]phenyl]-3-methylbenzamide?
The IUPAC name of N-[4-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]phenyl]-3-methylbenzamide (CID 3100006) is N-[4-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[4-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[4-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]phenyl]-3-methylbenzamide is CCOc1cc(Br)c(Br)c(/C=N/c2ccc(NC(=O)c3cccc(C)c3)cc2)c1O.
What is the InChIKey of N-[4-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]phenyl]-3-methylbenzamide?
The InChIKey is PYNZXEUMBNRQLL-LGJNPRDNSA-N. The full InChI is InChI=1S/C23H20Br2N2O3/c1-3-30-20-12-19(24)21(25)18(22(20)28)13-26-16-7-9-17(10-8-16)27-23(29)15-6-4-5-14(2)11-15/h4-13,28H,3H2,1-2H3,(H,27,29)/b26-13+.
What are the key properties of N-[4-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]phenyl]-3-methylbenzamide?
N-[4-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]phenyl]-3-methylbenzamide has a molecular weight of 532.23 g/mol, XLogP of 6.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]phenyl]-3-methylbenzamide is sourced from PubChem (CID 3100006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).