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

C15H13Br2N3O2 — CID 110514983

IUPAC4-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1c(Br)cc(/C=N\NC(=O)c2ccc(N)cc2)cc1Br
InChIInChI=1S/C15H13Br2N3O2/c1-22-14-12(16)6-9(7-13(14)17)8-19-20-15(21)10-2-4-11(18)5-3-10/h2-8H,18H2,1H3,(H,20,21)/b19-8-
InChIKeyLQHLPTLAYKLMEZ-UWVJOHFNSA-N
MW427.10 g/mol
LogP3.57
Rot. Bonds4

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

4-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide (PubChem CID 110514983) has the molecular formula C15H13Br2N3O2 and a molecular weight of 427.10 g/mol. Its IUPAC name is 4-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide
PubChem CID110514983
Molecular FormulaC15H13Br2N3O2
Molecular Weight427.10 g/mol
Exact Mass424.94
IUPAC Name4-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1c(Br)cc(/C=N\NC(=O)c2ccc(N)cc2)cc1Br
InChIInChI=1S/C15H13Br2N3O2/c1-22-14-12(16)6-9(7-13(14)17)8-19-20-15(21)10-2-4-11(18)5-3-10/h2-8H,18H2,1H3,(H,20,21)/b19-8-
InChIKeyLQHLPTLAYKLMEZ-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]-4-methylbenzamide
CID 5430582
3-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide
CID 110512236
4-acetamido-N-[(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide
CID 3873499
N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 41270292
4-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 136789352
4-amino-N-[(Z)-[3-[(E)-[(4-aminobenzoyl)hydrazinylidene]methyl]-5-[(Z)-[(4-aminobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 98297741
4-amino-N-[(E)-[3-bromo-4-[2-(dimethylamino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]benzamide
CID 6909101
4-amino-N-[(Z)-(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 9071121
4-amino-N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 135852604
N-[(Z)-(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 9016730
4-amino-N-[[3-bromo-4-[2-(dimethylamino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]benzamide
CID 2663510
4-amino-N-[(E)-[3-bromo-4-[2-(dimethylamino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]benzamide
CID 6909100

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide (CID 110514983) is 4-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide is COc1c(Br)cc(/C=N\NC(=O)c2ccc(N)cc2)cc1Br.
What is the InChIKey of 4-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is LQHLPTLAYKLMEZ-UWVJOHFNSA-N. The full InChI is InChI=1S/C15H13Br2N3O2/c1-22-14-12(16)6-9(7-13(14)17)8-19-20-15(21)10-2-4-11(18)5-3-10/h2-8H,18H2,1H3,(H,20,21)/b19-8-.
What are the key properties of 4-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide?
4-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 4-amino-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 110514983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).