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

C15H13Br2N3O3 — CID 135606860

IUPAC2-amino-3,5-dibromo-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1cccc(/C=N/NC(=O)c2cc(Br)cc(Br)c2N)c1O
InChIInChI=1S/C15H13Br2N3O3/c1-23-12-4-2-3-8(14(12)21)7-19-20-15(22)10-5-9(16)6-11(17)13(10)18/h2-7,21H,18H2,1H3,(H,20,22)/b19-7+
InChIKeyQLNNWTPFUUHTRO-FBCYGCLPSA-N
MW443.10 g/mol
LogP3.27
Rot. Bonds4

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

2-amino-3,5-dibromo-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide (PubChem CID 135606860) has the molecular formula C15H13Br2N3O3 and a molecular weight of 443.10 g/mol. Its IUPAC name is 2-amino-3,5-dibromo-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-amino-3,5-dibromo-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
PubChem CID135606860
Molecular FormulaC15H13Br2N3O3
Molecular Weight443.10 g/mol
Exact Mass440.93
IUPAC Name2-amino-3,5-dibromo-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1cccc(/C=N/NC(=O)c2cc(Br)cc(Br)c2N)c1O
InChIInChI=1S/C15H13Br2N3O3/c1-23-12-4-2-3-8(14(12)21)7-19-20-15(22)10-5-9(16)6-11(17)13(10)18/h2-7,21H,18H2,1H3,(H,20,22)/b19-7+
InChIKeyQLNNWTPFUUHTRO-FBCYGCLPSA-N
XLogP3.27
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.10
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-amino-3,5-dibromo-N-[(E)-(2-hydroxy-3-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

2-amino-3,5-dibromo-N-[(E)-(2-methoxyphenyl)methylideneamino]benzamide
CID 51061307
2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 136706071
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 137061149
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxy-2-methylbenzamide
CID 137076884
2-amino-N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136926350
N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 110505804
2-amino-3,5-dibromo-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 136782230
[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135666337
5-chloro-2-hydroxy-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 5044456
N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136912832
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766974
N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxybenzamide
CID 137172581

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5-dibromo-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-amino-3,5-dibromo-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide (CID 135606860) is 2-amino-3,5-dibromo-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-amino-3,5-dibromo-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-amino-3,5-dibromo-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide is COc1cccc(/C=N/NC(=O)c2cc(Br)cc(Br)c2N)c1O.
What is the InChIKey of 2-amino-3,5-dibromo-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is QLNNWTPFUUHTRO-FBCYGCLPSA-N. The full InChI is InChI=1S/C15H13Br2N3O3/c1-23-12-4-2-3-8(14(12)21)7-19-20-15(22)10-5-9(16)6-11(17)13(10)18/h2-7,21H,18H2,1H3,(H,20,22)/b19-7+.
What are the key properties of 2-amino-3,5-dibromo-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
2-amino-3,5-dibromo-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 443.10 g/mol, XLogP of 3.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5-dibromo-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135606860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).