N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-5-chloro-2-methoxybenzamide

C17H16BrClN2O4 — CID 6737092

IUPACN-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-5-chloro-2-methoxybenzamide
SMILESCOc1cc(Br)c(C=NNC(=O)c2cc(Cl)ccc2OC)cc1OC
InChIInChI=1S/C17H16BrClN2O4/c1-23-14-5-4-11(19)7-12(14)17(22)21-20-9-10-6-15(24-2)16(25-3)8-13(10)18/h4-9H,1-3H3,(H,21,22)
InChIKeyXZPBWIAKQVXOIU-UHFFFAOYSA-N
MW427.68 g/mol
LogP3.89
Rot. Bonds6

About N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-5-chloro-2-methoxybenzamide

N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-5-chloro-2-methoxybenzamide (PubChem CID 6737092) has the molecular formula C17H16BrClN2O4 and a molecular weight of 427.68 g/mol. Its IUPAC name is N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-5-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-5-chloro-2-methoxybenzamide
PubChem CID6737092
Molecular FormulaC17H16BrClN2O4
Molecular Weight427.68 g/mol
Exact Mass426.00
IUPAC NameN-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-5-chloro-2-methoxybenzamide
SMILESCOc1cc(Br)c(C=NNC(=O)c2cc(Cl)ccc2OC)cc1OC
InChIInChI=1S/C17H16BrClN2O4/c1-23-14-5-4-11(19)7-12(14)17(22)21-20-9-10-6-15(24-2)16(25-3)8-13(10)18/h4-9H,1-3H3,(H,21,22)
InChIKeyXZPBWIAKQVXOIU-UHFFFAOYSA-N
XLogP3.89
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.68
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-5-chloro-2-methoxybenzamide 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]-2-hydroxybenzamide
CID 9077699
5-chloro-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-2-methoxybenzamide
CID 45109213
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 1001834
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-dichlorobenzamide
CID 5430767
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-5-chloro-2-hydroxybenzamide
CID 6113383
N-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 9060329
5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-2-methoxybenzamide
CID 6894279
methyl 2-[5-bromo-4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 126195572
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3976610
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 5430737
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 9016566

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-5-chloro-2-methoxybenzamide?
The IUPAC name of N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-5-chloro-2-methoxybenzamide (CID 6737092) is N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-5-chloro-2-methoxybenzamide.
What is the SMILES notation for N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-5-chloro-2-methoxybenzamide?
The canonical SMILES for N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-5-chloro-2-methoxybenzamide is COc1cc(Br)c(C=NNC(=O)c2cc(Cl)ccc2OC)cc1OC.
What is the InChIKey of N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-5-chloro-2-methoxybenzamide?
The InChIKey is XZPBWIAKQVXOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O4/c1-23-14-5-4-11(19)7-12(14)17(22)21-20-9-10-6-15(24-2)16(25-3)8-13(10)18/h4-9H,1-3H3,(H,21,22).
What are the key properties of N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-5-chloro-2-methoxybenzamide?
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-5-chloro-2-methoxybenzamide has a molecular weight of 427.68 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-5-chloro-2-methoxybenzamide is sourced from PubChem (CID 6737092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).