N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-dichlorobenzamide

C16H13BrCl2N2O3 — CID 5430767

IUPACN-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-dichlorobenzamide
SMILESCOc1cc(Br)c(/C=N\NC(=O)c2ccc(Cl)c(Cl)c2)cc1OC
InChIInChI=1S/C16H13BrCl2N2O3/c1-23-14-6-10(11(17)7-15(14)24-2)8-20-21-16(22)9-3-4-12(18)13(19)5-9/h3-8H,1-2H3,(H,21,22)/b20-8-
InChIKeyOFUMESWCBWPTEK-ZBKNUEDVSA-N
MW432.10 g/mol
LogP4.54
Rot. Bonds5

About N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-dichlorobenzamide

N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-dichlorobenzamide (PubChem CID 5430767) has the molecular formula C16H13BrCl2N2O3 and a molecular weight of 432.10 g/mol. Its IUPAC name is N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-dichlorobenzamide
PubChem CID5430767
Molecular FormulaC16H13BrCl2N2O3
Molecular Weight432.10 g/mol
Exact Mass429.95
IUPAC NameN-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-dichlorobenzamide
SMILESCOc1cc(Br)c(/C=N\NC(=O)c2ccc(Cl)c(Cl)c2)cc1OC
InChIInChI=1S/C16H13BrCl2N2O3/c1-23-14-6-10(11(17)7-15(14)24-2)8-20-21-16(22)9-3-4-12(18)13(19)5-9/h3-8H,1-2H3,(H,21,22)/b20-8-
InChIKeyOFUMESWCBWPTEK-ZBKNUEDVSA-N
XLogP4.54
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.10
LogP ≤ 54.54
H-Bond Donors ≤ 51
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 N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-dichlorobenzamide 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-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 5430724
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 9016566
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 1001834
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 9015072
N-[(E)-[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]benzamide
CID 126085583
3,4-dichloro-N-[(2,4-dimethoxyphenyl)methylideneamino]benzamide
CID 3367156
N-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 9060329
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-5-chloro-2-methoxybenzamide
CID 6737092
3-chloro-4-methyl-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 126059607
methyl 2-[5-bromo-4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 126195572
3,4-dichloro-N-[(E)-(6-methoxy-1,3-benzodioxol-5-yl)methylideneamino]benzamide
CID 126109970
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6910490

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-dichlorobenzamide?
The IUPAC name of N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-dichlorobenzamide (CID 5430767) is N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-dichlorobenzamide?
The canonical SMILES for N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-dichlorobenzamide is COc1cc(Br)c(/C=N\NC(=O)c2ccc(Cl)c(Cl)c2)cc1OC.
What is the InChIKey of N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-dichlorobenzamide?
The InChIKey is OFUMESWCBWPTEK-ZBKNUEDVSA-N. The full InChI is InChI=1S/C16H13BrCl2N2O3/c1-23-14-6-10(11(17)7-15(14)24-2)8-20-21-16(22)9-3-4-12(18)13(19)5-9/h3-8H,1-2H3,(H,21,22)/b20-8-.
What are the key properties of N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-dichlorobenzamide?
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-dichlorobenzamide has a molecular weight of 432.10 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-dichlorobenzamide is sourced from PubChem (CID 5430767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).