N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide

C23H21BrN2O4 — CID 19657742

IUPACN-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
SMILESCOc1cc(/C=N/NC(=O)c2ccccc2OCc2ccccc2)cc(Br)c1OC
InChIInChI=1S/C23H21BrN2O4/c1-28-21-13-17(12-19(24)22(21)29-2)14-25-26-23(27)18-10-6-7-11-20(18)30-15-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H,26,27)/b25-14+
InChIKeyULNCJKHOLASHLK-AFUMVMLFSA-N
MW469.34 g/mol
LogP4.81
Rot. Bonds8

About N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide

N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide (PubChem CID 19657742) has the molecular formula C23H21BrN2O4 and a molecular weight of 469.34 g/mol. Its IUPAC name is N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
PubChem CID19657742
Molecular FormulaC23H21BrN2O4
Molecular Weight469.34 g/mol
Exact Mass468.07
IUPAC NameN-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
SMILESCOc1cc(/C=N/NC(=O)c2ccccc2OCc2ccccc2)cc(Br)c1OC
InChIInChI=1S/C23H21BrN2O4/c1-28-21-13-17(12-19(24)22(21)29-2)14-25-26-23(27)18-10-6-7-11-20(18)30-15-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H,26,27)/b25-14+
InChIKeyULNCJKHOLASHLK-AFUMVMLFSA-N
XLogP4.81
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.34
LogP ≤ 54.81
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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Related Compounds

N-[(E)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 96883251
N-[(E)-(3,5-diiodo-4-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657766
N-[(Z)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 92851172
N-[(Z)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-nitrobenzamide
CID 94831738
2-amino-N-[(Z)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 110512033
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 135678576
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-3,4,5-tris(phenylmethoxy)benzamide
CID 136899957
2-bromo-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4167953
N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657755
N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-methoxybenzamide
CID 126153417
N-[(Z)-(3-bromo-4,5-diethoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 124605332
N-[(Z)-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657867

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide?
The IUPAC name of N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide (CID 19657742) is N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide.
What is the SMILES notation for N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide?
The canonical SMILES for N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide is COc1cc(/C=N/NC(=O)c2ccccc2OCc2ccccc2)cc(Br)c1OC.
What is the InChIKey of N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide?
The InChIKey is ULNCJKHOLASHLK-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H21BrN2O4/c1-28-21-13-17(12-19(24)22(21)29-2)14-25-26-23(27)18-10-6-7-11-20(18)30-15-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H,26,27)/b25-14+.
What are the key properties of N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide?
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide has a molecular weight of 469.34 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide is sourced from PubChem (CID 19657742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).