2-amino-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]benzamide

C15H14BrN3O2 — CID 5397551

IUPAC2-amino-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N\NC(=O)c2ccccc2N)cc1Br
InChIInChI=1S/C15H14BrN3O2/c1-21-14-7-6-10(8-12(14)16)9-18-19-15(20)11-4-2-3-5-13(11)17/h2-9H,17H2,1H3,(H,19,20)/b18-9-
InChIKeyXOKQYWBLKISSTD-NVMNQCDNSA-N
MW348.20 g/mol
LogP2.80
Rot. Bonds4

About 2-amino-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]benzamide

2-amino-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]benzamide (PubChem CID 5397551) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 2-amino-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-amino-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]benzamide
PubChem CID5397551
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name2-amino-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N\NC(=O)c2ccccc2N)cc1Br
InChIInChI=1S/C15H14BrN3O2/c1-21-14-7-6-10(8-12(14)16)9-18-19-15(20)11-4-2-3-5-13(11)17/h2-9H,17H2,1H3,(H,19,20)/b18-9-
InChIKeyXOKQYWBLKISSTD-NVMNQCDNSA-N
XLogP2.80
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.80
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

N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-chlorobenzamide
CID 5450738
2-amino-N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]benzamide
CID 110512103
5-[[(2-bromobenzoyl)hydrazinylidene]methyl]-2-methoxybenzoic acid
CID 1274624
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-[(4-fluorobenzoyl)amino]benzamide
CID 23107297
N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 761682
2-amino-N-[(E)-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzamide
CID 110341609
2-amino-N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 110340971
N-[(3-bromo-4-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 3930747
N-[(Z)-(3-bromo-4-propoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 110509521
N-[(3-bromo-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 7368869
2-amino-N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136926350
2-amino-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide
CID 110337136

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-amino-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]benzamide (CID 5397551) is 2-amino-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-amino-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-amino-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]benzamide is COc1ccc(/C=N\NC(=O)c2ccccc2N)cc1Br.
What is the InChIKey of 2-amino-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is XOKQYWBLKISSTD-NVMNQCDNSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c1-21-14-7-6-10(8-12(14)16)9-18-19-15(20)11-4-2-3-5-13(11)17/h2-9H,17H2,1H3,(H,19,20)/b18-9-.
What are the key properties of 2-amino-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]benzamide?
2-amino-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 348.20 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 5397551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).