N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide

C16H14Cl2N2O3 — CID 6910490

IUPACN-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C16H14Cl2N2O3/c1-22-14-6-4-10(7-15(14)23-2)16(21)20-19-9-11-3-5-12(17)8-13(11)18/h3-9H,1-2H3,(H,20,21)/b19-9+
InChIKeyYIJZDEFFFGKWAA-DJKKODMXSA-N
MW353.21 g/mol
LogP3.77
Rot. Bonds5

About N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide

N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide (PubChem CID 6910490) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
PubChem CID6910490
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C16H14Cl2N2O3/c1-22-14-6-4-10(7-15(14)23-2)16(21)20-19-9-11-3-5-12(17)8-13(11)18/h3-9H,1-2H3,(H,20,21)/b19-9+
InChIKeyYIJZDEFFFGKWAA-DJKKODMXSA-N
XLogP3.77
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.77
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-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide 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-[(2,4-dichlorophenyl)methylideneamino]-3-hydroxy-4-methoxybenzamide
CID 123861498
N-[(2,4-dichlorophenyl)methylideneamino]-4-iodo-3-methoxybenzamide
CID 5160595
1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 6894297
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 139078702
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide
CID 6018183
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6018421
N-[(2,4-dichlorophenyl)methylideneamino]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 4297115
N-[(3-chlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 2693736
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide
CID 872770
3,4-dimethoxy-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]benzamide
CID 9232674
4-[[4-chloro-2-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126332446
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 5430724

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide?
The IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide (CID 6910490) is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide is COc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1OC.
What is the InChIKey of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide?
The InChIKey is YIJZDEFFFGKWAA-DJKKODMXSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c1-22-14-6-4-10(7-15(14)23-2)16(21)20-19-9-11-3-5-12(17)8-13(11)18/h3-9H,1-2H3,(H,20,21)/b19-9+.
What are the key properties of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide?
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide has a molecular weight of 353.21 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide is sourced from PubChem (CID 6910490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).