3-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide

C15H13Br2N3O2 — CID 110512236

IUPAC3-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1c(Br)cc(/C=N\NC(=O)c2cccc(N)c2)cc1Br
InChIInChI=1S/C15H13Br2N3O2/c1-22-14-12(16)5-9(6-13(14)17)8-19-20-15(21)10-3-2-4-11(18)7-10/h2-8H,18H2,1H3,(H,20,21)/b19-8-
InChIKeyIPIDFAJZWUDNEQ-UWVJOHFNSA-N
MW427.10 g/mol
LogP3.57
Rot. Bonds4

About 3-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide

3-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide (PubChem CID 110512236) has the molecular formula C15H13Br2N3O2 and a molecular weight of 427.10 g/mol. Its IUPAC name is 3-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide
PubChem CID110512236
Molecular FormulaC15H13Br2N3O2
Molecular Weight427.10 g/mol
Exact Mass424.94
IUPAC Name3-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1c(Br)cc(/C=N\NC(=O)c2cccc(N)c2)cc1Br
InChIInChI=1S/C15H13Br2N3O2/c1-22-14-12(16)5-9(6-13(14)17)8-19-20-15(21)10-3-2-4-11(18)7-10/h2-8H,18H2,1H3,(H,20,21)/b19-8-
InChIKeyIPIDFAJZWUDNEQ-UWVJOHFNSA-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

4-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide
CID 110514983
N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]-4-methylbenzamide
CID 5430582
N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 41270292
4-acetamido-N-[(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide
CID 3873499
3-amino-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
CID 110512312
N-[(E)-[4-(2-amino-2-oxoethoxy)-3,5-dibromophenyl]methylideneamino]-3-methoxybenzamide
CID 126273928
3-amino-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]benzamide
CID 110512153
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-3-fluorobenzamide
CID 135504491
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126320857
[4-[(Z)-[(3-aminobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
CID 110512271
3-acetamido-N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 4309293
3-bromo-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 5334858

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide (CID 110512236) is 3-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide is COc1c(Br)cc(/C=N\NC(=O)c2cccc(N)c2)cc1Br.
What is the InChIKey of 3-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is IPIDFAJZWUDNEQ-UWVJOHFNSA-N. The full InChI is InChI=1S/C15H13Br2N3O2/c1-22-14-12(16)5-9(6-13(14)17)8-19-20-15(21)10-3-2-4-11(18)7-10/h2-8H,18H2,1H3,(H,20,21)/b19-8-.
What are the key properties of 3-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide?
3-amino-N-[(Z)-(3,5-dibromo-4-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 3-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 110512236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).