2-benzamido-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide

C21H16BrN3O3 — CID 136677269

IUPAC2-benzamido-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(Nc1ccccc1C(=O)N/N=C\c1cc(Br)ccc1O)c1ccccc1
InChIInChI=1S/C21H16BrN3O3/c22-16-10-11-19(26)15(12-16)13-23-25-21(28)17-8-4-5-9-18(17)24-20(27)14-6-2-1-3-7-14/h1-13,26H,(H,24,27)(H,25,28)/b23-13-
InChIKeyDXVFPYANKVPBKS-QRVIBDJDSA-N
MW438.28 g/mol
LogP4.17
Rot. Bonds5

About 2-benzamido-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide

2-benzamido-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 136677269) has the molecular formula C21H16BrN3O3 and a molecular weight of 438.28 g/mol. Its IUPAC name is 2-benzamido-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-benzamido-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID136677269
Molecular FormulaC21H16BrN3O3
Molecular Weight438.28 g/mol
Exact Mass437.04
IUPAC Name2-benzamido-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(Nc1ccccc1C(=O)N/N=C\c1cc(Br)ccc1O)c1ccccc1
InChIInChI=1S/C21H16BrN3O3/c22-16-10-11-19(26)15(12-16)13-23-25-21(28)17-8-4-5-9-18(17)24-20(27)14-6-2-1-3-7-14/h1-13,26H,(H,24,27)(H,25,28)/b23-13-
InChIKeyDXVFPYANKVPBKS-QRVIBDJDSA-N
XLogP4.17
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.28
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-bromo-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 4135115
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylbenzamide
CID 719568
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 135738438
2-bromo-N-[4-[[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 136802196
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-fluorobenzamide
CID 771428
[4-bromo-2-[(Z)-[[2-[(4-nitrobenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 126007684
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide
CID 135479229
N-[(Z)-anthracen-9-ylmethylideneamino]-2-[(4-bromobenzoyl)amino]benzamide
CID 126002059
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide
CID 137203260
N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
CID 4171439
N-[(Z)-(4-bromophenyl)methylideneamino]-2-[(4-chlorobenzoyl)amino]benzamide
CID 94831822
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 135541710

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-benzamido-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide (CID 136677269) is 2-benzamido-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-benzamido-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-benzamido-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide is O=C(Nc1ccccc1C(=O)N/N=C\c1cc(Br)ccc1O)c1ccccc1.
What is the InChIKey of 2-benzamido-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is DXVFPYANKVPBKS-QRVIBDJDSA-N. The full InChI is InChI=1S/C21H16BrN3O3/c22-16-10-11-19(26)15(12-16)13-23-25-21(28)17-8-4-5-9-18(17)24-20(27)14-6-2-1-3-7-14/h1-13,26H,(H,24,27)(H,25,28)/b23-13-.
What are the key properties of 2-benzamido-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
2-benzamido-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 438.28 g/mol, XLogP of 4.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 136677269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).