2-amino-3,5-dibromo-N-[(E)-(2-methoxyphenyl)methylideneamino]benzamide

C15H13Br2N3O2 — CID 51061307

IUPAC2-amino-3,5-dibromo-N-[(E)-(2-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccccc1/C=N/NC(=O)c1cc(Br)cc(Br)c1N
InChIInChI=1S/C15H13Br2N3O2/c1-22-13-5-3-2-4-9(13)8-19-20-15(21)11-6-10(16)7-12(17)14(11)18/h2-8H,18H2,1H3,(H,20,21)/b19-8+
InChIKeyYBMHNPLGERZEOF-UFWORHAWSA-N
MW427.10 g/mol
LogP3.57
Rot. Bonds4

About 2-amino-3,5-dibromo-N-[(E)-(2-methoxyphenyl)methylideneamino]benzamide

2-amino-3,5-dibromo-N-[(E)-(2-methoxyphenyl)methylideneamino]benzamide (PubChem CID 51061307) has the molecular formula C15H13Br2N3O2 and a molecular weight of 427.10 g/mol. Its IUPAC name is 2-amino-3,5-dibromo-N-[(E)-(2-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-amino-3,5-dibromo-N-[(E)-(2-methoxyphenyl)methylideneamino]benzamide
PubChem CID51061307
Molecular FormulaC15H13Br2N3O2
Molecular Weight427.10 g/mol
Exact Mass424.94
IUPAC Name2-amino-3,5-dibromo-N-[(E)-(2-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccccc1/C=N/NC(=O)c1cc(Br)cc(Br)c1N
InChIInChI=1S/C15H13Br2N3O2/c1-22-13-5-3-2-4-9(13)8-19-20-15(21)11-6-10(16)7-12(17)14(11)18/h2-8H,18H2,1H3,(H,20,21)/b19-8+
InChIKeyYBMHNPLGERZEOF-UFWORHAWSA-N
XLogP3.57
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.10
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-3,5-dibromo-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 135606860
N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 110505804
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 137061149
4-bromo-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5404678
5-bromo-2-ethoxy-N-[(2-methoxyphenyl)methylideneamino]benzamide
CID 4101486
2-amino-3,5-dibromo-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 136782230
2-amino-N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136926350
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxy-2-methylbenzamide
CID 137076884
2,4-dihydroxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 6287752
2,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5403738
N-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 4616734
3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5427560

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5-dibromo-N-[(E)-(2-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-amino-3,5-dibromo-N-[(E)-(2-methoxyphenyl)methylideneamino]benzamide (CID 51061307) is 2-amino-3,5-dibromo-N-[(E)-(2-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-amino-3,5-dibromo-N-[(E)-(2-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-amino-3,5-dibromo-N-[(E)-(2-methoxyphenyl)methylideneamino]benzamide is COc1ccccc1/C=N/NC(=O)c1cc(Br)cc(Br)c1N.
What is the InChIKey of 2-amino-3,5-dibromo-N-[(E)-(2-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is YBMHNPLGERZEOF-UFWORHAWSA-N. The full InChI is InChI=1S/C15H13Br2N3O2/c1-22-13-5-3-2-4-9(13)8-19-20-15(21)11-6-10(16)7-12(17)14(11)18/h2-8H,18H2,1H3,(H,20,21)/b19-8+.
What are the key properties of 2-amino-3,5-dibromo-N-[(E)-(2-methoxyphenyl)methylideneamino]benzamide?
2-amino-3,5-dibromo-N-[(E)-(2-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 427.10 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5-dibromo-N-[(E)-(2-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 51061307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).