2-[(4-bromophenyl)methoxy]-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]benzamide

C23H21BrN2O4 — CID 86771777

IUPAC2-[(4-bromophenyl)methoxy]-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]benzamide
SMILESCCOc1ccc(/C=N/NC(=O)c2ccccc2OCc2ccc(Br)cc2)cc1O
InChIInChI=1S/C23H21BrN2O4/c1-2-29-22-12-9-17(13-20(22)27)14-25-26-23(28)19-5-3-4-6-21(19)30-15-16-7-10-18(24)11-8-16/h3-14,27H,2,15H2,1H3,(H,26,28)/b25-14+
InChIKeyAFFXUPRDIRATQS-AFUMVMLFSA-N
MW469.34 g/mol
LogP4.90
Rot. Bonds8

About 2-[(4-bromophenyl)methoxy]-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]benzamide

2-[(4-bromophenyl)methoxy]-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 86771777) has the molecular formula C23H21BrN2O4 and a molecular weight of 469.34 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methoxy]-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methoxy]-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]benzamide
PubChem CID86771777
Molecular FormulaC23H21BrN2O4
Molecular Weight469.34 g/mol
Exact Mass468.07
IUPAC Name2-[(4-bromophenyl)methoxy]-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]benzamide
SMILESCCOc1ccc(/C=N/NC(=O)c2ccccc2OCc2ccc(Br)cc2)cc1O
InChIInChI=1S/C23H21BrN2O4/c1-2-29-22-12-9-17(13-20(22)27)14-25-26-23(28)19-5-3-4-6-21(19)30-15-16-7-10-18(24)11-8-16/h3-14,27H,2,15H2,1H3,(H,26,28)/b25-14+
InChIKeyAFFXUPRDIRATQS-AFUMVMLFSA-N
XLogP4.90
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.34
LogP ≤ 54.90
H-Bond Donors ≤ 52
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-4-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657755
2-[(4-bromophenyl)methoxy]-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 97413798
2-[(3-bromophenyl)methoxy]-N-[(E)-(4-bromophenyl)methylideneamino]benzamide
CID 83290842
2-[(3-bromophenyl)methoxy]-N-[(Z)-(4-bromophenyl)methylideneamino]benzamide
CID 97413809
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 135678576
N-(anthracen-9-ylmethylideneamino)-2-[(4-bromophenyl)methoxy]benzamide
CID 71960202
N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide
CID 110510107
5-bromo-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 6894268
5-bromo-N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 4080043
2-[(4-chlorophenyl)methoxy]-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 4582846
N-[(4-hydroxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 4937790
N-[(E)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-methylbenzamide
CID 19060893

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methoxy]-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-[(4-bromophenyl)methoxy]-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]benzamide (CID 86771777) is 2-[(4-bromophenyl)methoxy]-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-[(4-bromophenyl)methoxy]-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-[(4-bromophenyl)methoxy]-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]benzamide is CCOc1ccc(/C=N/NC(=O)c2ccccc2OCc2ccc(Br)cc2)cc1O.
What is the InChIKey of 2-[(4-bromophenyl)methoxy]-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is AFFXUPRDIRATQS-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H21BrN2O4/c1-2-29-22-12-9-17(13-20(22)27)14-25-26-23(28)19-5-3-4-6-21(19)30-15-16-7-10-18(24)11-8-16/h3-14,27H,2,15H2,1H3,(H,26,28)/b25-14+.
What are the key properties of 2-[(4-bromophenyl)methoxy]-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]benzamide?
2-[(4-bromophenyl)methoxy]-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 469.34 g/mol, XLogP of 4.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methoxy]-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 86771777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).