2-(4-chloroanilino)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide

C17H18ClN3O3 — CID 71624539

IUPAC2-(4-chloroanilino)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C17H18ClN3O3/c1-23-15-8-3-12(9-16(15)24-2)10-20-21-17(22)11-19-14-6-4-13(18)5-7-14/h3-10,19H,11H2,1-2H3,(H,21,22)/b20-10+
InChIKeyWMOGLTZHGDYVGX-KEBDBYFISA-N
MW347.80 g/mol
LogP2.92
Rot. Bonds7

About 2-(4-chloroanilino)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide

2-(4-chloroanilino)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide (PubChem CID 71624539) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
PubChem CID71624539
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name2-(4-chloroanilino)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C17H18ClN3O3/c1-23-15-8-3-12(9-16(15)24-2)10-20-21-17(22)11-19-14-6-4-13(18)5-7-14/h3-10,19H,11H2,1-2H3,(H,21,22)/b20-10+
InChIKeyWMOGLTZHGDYVGX-KEBDBYFISA-N
XLogP2.92
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.92
H-Bond Donors ≤ 52
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 2-(4-chloroanilino)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chloroanilino)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide (CID 71624539) is 2-(4-chloroanilino)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chloroanilino)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide is COc1ccc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 2-(4-chloroanilino)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide?
The InChIKey is WMOGLTZHGDYVGX-KEBDBYFISA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-23-15-8-3-12(9-16(15)24-2)10-20-21-17(22)11-19-14-6-4-13(18)5-7-14/h3-10,19H,11H2,1-2H3,(H,21,22)/b20-10+.
What are the key properties of 2-(4-chloroanilino)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide?
2-(4-chloroanilino)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide has a molecular weight of 347.80 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 71624539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).