N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide

C22H20N2O3 — CID 6152327

IUPACN-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide
SMILESCOc1ccc(OC)c(/C=N\NC(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C22H20N2O3/c1-26-20-12-13-21(27-2)19(14-20)15-23-24-22(25)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-15H,1-2H3,(H,24,25)/b23-15-
InChIKeyOZXDHYDJXNTCHB-HAHDFKILSA-N
MW360.41 g/mol
LogP4.13
Rot. Bonds6

About N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide

N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide (PubChem CID 6152327) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide
PubChem CID6152327
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide
SMILESCOc1ccc(OC)c(/C=N\NC(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C22H20N2O3/c1-26-20-12-13-21(27-2)19(14-20)15-23-24-22(25)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-15H,1-2H3,(H,24,25)/b23-15-
InChIKeyOZXDHYDJXNTCHB-HAHDFKILSA-N
XLogP4.13
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.13
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide?
The IUPAC name of N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide (CID 6152327) is N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide.
What is the SMILES notation for N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide?
The canonical SMILES for N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide is COc1ccc(OC)c(/C=N\NC(=O)c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide?
The InChIKey is OZXDHYDJXNTCHB-HAHDFKILSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-26-20-12-13-21(27-2)19(14-20)15-23-24-22(25)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-15H,1-2H3,(H,24,25)/b23-15-.
What are the key properties of N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide?
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide has a molecular weight of 360.41 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide is sourced from PubChem (CID 6152327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).