N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C24H21ClN2O4 — CID 126371202

About N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 126371202) has the molecular formula C24H21ClN2O4 and a molecular weight of 436.90 g/mol. Its IUPAC name is N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

• Compound Name: N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
• PubChem CID: 126371202
• Molecular Formula: C24H21ClN2O4
• Molecular Weight: 436.90 g/mol
• Exact Mass: 436.12
• IUPAC Name: N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
• SMILES: O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1cccc(OCc2ccccc2Cl)c1
• InChI: InChI=1S/C24H21ClN2O4/c25-21-7-2-1-5-19(21)16-31-20-6-3-4-18(12-20)15-26-27-24(28)14-17-8-9-22-23(13-17)30-11-10-29-22/h1-9,12-13,15H,10-11,14,16H2,(H,27,28)/b26-15-
• InChIKey: VNHITZAPWQLQGO-YSMPRRRNSA-N
• XLogP: 4.38
• TPSA: 69.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.90
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?

The IUPAC name of N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 126371202) is N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

What is the SMILES notation for N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?

The canonical SMILES for N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1cccc(OCc2ccccc2Cl)c1.

What is the InChIKey of N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?

The InChIKey is VNHITZAPWQLQGO-YSMPRRRNSA-N. The full InChI is InChI=1S/C24H21ClN2O4/c25-21-7-2-1-5-19(21)16-31-20-6-3-4-18(12-20)15-26-27-24(28)14-17-8-9-22-23(13-17)30-11-10-29-22/h1-9,12-13,15H,10-11,14,16H2,(H,27,28)/b26-15-.

What are the key properties of N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?

N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 436.90 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 126371202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).