2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide

C25H23Cl2N3O2 — CID 19657691

IUPAC2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(N2CCCC2)cc1)c1ccccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C25H23Cl2N3O2/c26-20-10-9-19(23(27)15-20)17-32-24-6-2-1-5-22(24)25(31)29-28-16-18-7-11-21(12-8-18)30-13-3-4-14-30/h1-2,5-12,15-16H,3-4,13-14,17H2,(H,29,31)/b28-16+
InChIKeyUVMXVMREVMQEDC-LQKURTRISA-N
MW468.38 g/mol
LogP5.94
Rot. Bonds7

About 2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide

2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide (PubChem CID 19657691) has the molecular formula C25H23Cl2N3O2 and a molecular weight of 468.38 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide
PubChem CID19657691
Molecular FormulaC25H23Cl2N3O2
Molecular Weight468.38 g/mol
Exact Mass467.12
IUPAC Name2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(N2CCCC2)cc1)c1ccccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C25H23Cl2N3O2/c26-20-10-9-19(23(27)15-20)17-32-24-6-2-1-5-22(24)25(31)29-28-16-18-7-11-21(12-8-18)30-13-3-4-14-30/h1-2,5-12,15-16H,3-4,13-14,17H2,(H,29,31)/b28-16+
InChIKeyUVMXVMREVMQEDC-LQKURTRISA-N
XLogP5.94
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.38
LogP ≤ 55.94
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'}

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Related Compounds

N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
CID 19657531
2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 19657560
2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide
CID 135833086
2-bromo-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 17245231
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-methoxybenzamide
CID 126145584
N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
CID 19657477
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide
CID 135833062
N-[(E)-benzylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide
CID 51061576
2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]benzamide
CID 19657702
2-[(2-chlorophenyl)methoxy]-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 19657392
4-chloro-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 94847907
2-bromo-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzamide
CID 17245276

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide (CID 19657691) is 2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide is O=C(N/N=C/c1ccc(N2CCCC2)cc1)c1ccccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide?
The InChIKey is UVMXVMREVMQEDC-LQKURTRISA-N. The full InChI is InChI=1S/C25H23Cl2N3O2/c26-20-10-9-19(23(27)15-20)17-32-24-6-2-1-5-22(24)25(31)29-28-16-18-7-11-21(12-8-18)30-13-3-4-14-30/h1-2,5-12,15-16H,3-4,13-14,17H2,(H,29,31)/b28-16+.
What are the key properties of 2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide?
2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide has a molecular weight of 468.38 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 19657691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).