3-bromo-N-[(Z)-[(2E)-2-hydroxyimino-1-phenylethylidene]amino]benzamide

C15H12BrN3O2 — CID 135642241

IUPAC3-bromo-N-[(Z)-[(2E)-2-hydroxyimino-1-phenylethylidene]amino]benzamide
SMILESO=C(N/N=C(\C=N\O)c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C15H12BrN3O2/c16-13-8-4-7-12(9-13)15(20)19-18-14(10-17-21)11-5-2-1-3-6-11/h1-10,21H,(H,19,20)/b17-10+,18-14+
InChIKeyADHPRXQTEYDCTN-WGUKNHOESA-N
MW346.18 g/mol
LogP3.04
Rot. Bonds4

About 3-bromo-N-[(Z)-[(2E)-2-hydroxyimino-1-phenylethylidene]amino]benzamide

3-bromo-N-[(Z)-[(2E)-2-hydroxyimino-1-phenylethylidene]amino]benzamide (PubChem CID 135642241) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is 3-bromo-N-[(Z)-[(2E)-2-hydroxyimino-1-phenylethylidene]amino]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(Z)-[(2E)-2-hydroxyimino-1-phenylethylidene]amino]benzamide
PubChem CID135642241
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC Name3-bromo-N-[(Z)-[(2E)-2-hydroxyimino-1-phenylethylidene]amino]benzamide
SMILESO=C(N/N=C(\C=N\O)c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C15H12BrN3O2/c16-13-8-4-7-12(9-13)15(20)19-18-14(10-17-21)11-5-2-1-3-6-11/h1-10,21H,(H,19,20)/b17-10+,18-14+
InChIKeyADHPRXQTEYDCTN-WGUKNHOESA-N
XLogP3.04
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 118577200
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(2Z)-1-(3-bromophenyl)-2-hydroxyiminoethanone
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3-bromo-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
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CID 4684181
3-bromo-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 5414676
3-bromo-N-[(4-phenylphenyl)methylideneamino]benzamide
CID 2828054
3-bromo-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]benzamide
CID 5332759
N-[(Z)-(4-anilino-4-oxo-1-phenylbutylidene)amino]-3-bromobenzamide
CID 88848944
3-bromo-N-[1-(3-methylphenyl)ethylideneamino]benzamide
CID 3319660
3-bromo-N-[(2-iodophenyl)methylideneamino]benzamide
CID 3586825

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(Z)-[(2E)-2-hydroxyimino-1-phenylethylidene]amino]benzamide?
The IUPAC name of 3-bromo-N-[(Z)-[(2E)-2-hydroxyimino-1-phenylethylidene]amino]benzamide (CID 135642241) is 3-bromo-N-[(Z)-[(2E)-2-hydroxyimino-1-phenylethylidene]amino]benzamide.
What is the SMILES notation for 3-bromo-N-[(Z)-[(2E)-2-hydroxyimino-1-phenylethylidene]amino]benzamide?
The canonical SMILES for 3-bromo-N-[(Z)-[(2E)-2-hydroxyimino-1-phenylethylidene]amino]benzamide is O=C(N/N=C(\C=N\O)c1ccccc1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(Z)-[(2E)-2-hydroxyimino-1-phenylethylidene]amino]benzamide?
The InChIKey is ADHPRXQTEYDCTN-WGUKNHOESA-N. The full InChI is InChI=1S/C15H12BrN3O2/c16-13-8-4-7-12(9-13)15(20)19-18-14(10-17-21)11-5-2-1-3-6-11/h1-10,21H,(H,19,20)/b17-10+,18-14+.
What are the key properties of 3-bromo-N-[(Z)-[(2E)-2-hydroxyimino-1-phenylethylidene]amino]benzamide?
3-bromo-N-[(Z)-[(2E)-2-hydroxyimino-1-phenylethylidene]amino]benzamide has a molecular weight of 346.18 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(Z)-[(2E)-2-hydroxyimino-1-phenylethylidene]amino]benzamide is sourced from PubChem (CID 135642241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).