4-acetamido-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide

C23H20BrN3O3 — CID 4644510

IUPAC4-acetamido-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NN=Cc2ccc(OCc3ccccc3)c(Br)c2)cc1
InChIInChI=1S/C23H20BrN3O3/c1-16(28)26-20-10-8-19(9-11-20)23(29)27-25-14-18-7-12-22(21(24)13-18)30-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,26,28)(H,27,29)
InChIKeyATQKIUDFLMULJX-UHFFFAOYSA-N
MW466.34 g/mol
LogP4.75
Rot. Bonds7

About 4-acetamido-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide

4-acetamido-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide (PubChem CID 4644510) has the molecular formula C23H20BrN3O3 and a molecular weight of 466.34 g/mol. Its IUPAC name is 4-acetamido-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide
PubChem CID4644510
Molecular FormulaC23H20BrN3O3
Molecular Weight466.34 g/mol
Exact Mass465.07
IUPAC Name4-acetamido-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NN=Cc2ccc(OCc3ccccc3)c(Br)c2)cc1
InChIInChI=1S/C23H20BrN3O3/c1-16(28)26-20-10-8-19(9-11-20)23(29)27-25-14-18-7-12-22(21(24)13-18)30-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,26,28)(H,27,29)
InChIKeyATQKIUDFLMULJX-UHFFFAOYSA-N
XLogP4.75
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.34
LogP ≤ 54.75
H-Bond Donors ≤ 52
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-[(E)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 17246135
4-acetamido-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6134944
2-bromo-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 3834787
N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657755
N-[(E)-[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
CID 126308626
N-[(E)-[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
CID 126333322
3-acetamido-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6148632
N'-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 3955982
N-[(Z)-[3-bromo-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-4-chlorobenzamide
CID 126199927
N-[(E)-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3,4-diethoxybenzamide
CID 126331879
N-[(E)-[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126323347
N-[(Z)-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 126371203

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-acetamido-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide (CID 4644510) is 4-acetamido-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-acetamido-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-acetamido-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide is CC(=O)Nc1ccc(C(=O)NN=Cc2ccc(OCc3ccccc3)c(Br)c2)cc1.
What is the InChIKey of 4-acetamido-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide?
The InChIKey is ATQKIUDFLMULJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN3O3/c1-16(28)26-20-10-8-19(9-11-20)23(29)27-25-14-18-7-12-22(21(24)13-18)30-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 4-acetamido-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide?
4-acetamido-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide has a molecular weight of 466.34 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 4644510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).