N-[(2,4-dimethoxyphenyl)methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide

C23H21FN2O4 — CID 2401210

IUPACN-[(2,4-dimethoxyphenyl)methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide
SMILESCOc1ccc(C=NNC(=O)c2ccccc2OCc2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C23H21FN2O4/c1-28-19-12-9-17(22(13-19)29-2)14-25-26-23(27)20-5-3-4-6-21(20)30-15-16-7-10-18(24)11-8-16/h3-14H,15H2,1-2H3,(H,26,27)
InChIKeyWCIIOYAYCHDTJN-UHFFFAOYSA-N
MW408.43 g/mol
LogP4.19
Rot. Bonds8

About N-[(2,4-dimethoxyphenyl)methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide

N-[(2,4-dimethoxyphenyl)methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide (PubChem CID 2401210) has the molecular formula C23H21FN2O4 and a molecular weight of 408.43 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide
PubChem CID2401210
Molecular FormulaC23H21FN2O4
Molecular Weight408.43 g/mol
Exact Mass408.15
IUPAC NameN-[(2,4-dimethoxyphenyl)methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide
SMILESCOc1ccc(C=NNC(=O)c2ccccc2OCc2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C23H21FN2O4/c1-28-19-12-9-17(22(13-19)29-2)14-25-26-23(27)20-5-3-4-6-21(20)30-15-16-7-10-18(24)11-8-16/h3-14H,15H2,1-2H3,(H,26,27)
InChIKeyWCIIOYAYCHDTJN-UHFFFAOYSA-N
XLogP4.19
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide (CID 2401210) is N-[(2,4-dimethoxyphenyl)methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide is COc1ccc(C=NNC(=O)c2ccccc2OCc2ccc(F)cc2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide?
The InChIKey is WCIIOYAYCHDTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4/c1-28-19-12-9-17(22(13-19)29-2)14-25-26-23(27)20-5-3-4-6-21(20)30-15-16-7-10-18(24)11-8-16/h3-14H,15H2,1-2H3,(H,26,27).
What are the key properties of N-[(2,4-dimethoxyphenyl)methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide?
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide has a molecular weight of 408.43 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methylideneamino]-2-[(4-fluorophenyl)methoxy]benzamide is sourced from PubChem (CID 2401210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).