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

C15H13BrN2O2 — CID 5404678

IUPAC4-bromo-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccccc1/C=N\NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrN2O2/c1-20-14-5-3-2-4-12(14)10-17-18-15(19)11-6-8-13(16)9-7-11/h2-10H,1H3,(H,18,19)/b17-10-
InChIKeyXEORZAAZNMLCQY-YVLHZVERSA-N
MW333.19 g/mol
LogP3.22
Rot. Bonds4

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

4-bromo-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide (PubChem CID 5404678) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is 4-bromo-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
PubChem CID5404678
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name4-bromo-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccccc1/C=N\NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrN2O2/c1-20-14-5-3-2-4-12(14)10-17-18-15(19)11-6-8-13(16)9-7-11/h2-10H,1H3,(H,18,19)/b17-10-
InChIKeyXEORZAAZNMLCQY-YVLHZVERSA-N
XLogP3.22
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[[2-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 4279816
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 5066879
N-[(Z)-(2-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215609
1-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 44507819
3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5427560
3-bromo-N-[(5-bromo-2-methoxyphenyl)methylideneamino]benzamide
CID 1245790
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 1001834
N-[(2-methoxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
CID 748909
N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136912832
N-[(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 584655
N-(4-bromophenyl)-N'-[(Z)-(2-methoxyphenyl)methylideneamino]pentanediamide
CID 126271169
5-bromo-2-ethoxy-N-[(2-methoxyphenyl)methylideneamino]benzamide
CID 4101486

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-bromo-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide (CID 5404678) is 4-bromo-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-bromo-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-bromo-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide is COc1ccccc1/C=N\NC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is XEORZAAZNMLCQY-YVLHZVERSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c1-20-14-5-3-2-4-12(14)10-17-18-15(19)11-6-8-13(16)9-7-11/h2-10H,1H3,(H,18,19)/b17-10-.
What are the key properties of 4-bromo-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide?
4-bromo-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 333.19 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 5404678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).