5-bromo-2-ethoxy-N-[(2-methoxyphenyl)methylideneamino]benzamide

C17H17BrN2O3 — CID 4101486

IUPAC5-bromo-2-ethoxy-N-[(2-methoxyphenyl)methylideneamino]benzamide
SMILESCCOc1ccc(Br)cc1C(=O)NN=Cc1ccccc1OC
InChIInChI=1S/C17H17BrN2O3/c1-3-23-16-9-8-13(18)10-14(16)17(21)20-19-11-12-6-4-5-7-15(12)22-2/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyHTUSWVANCOOIOL-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.62
Rot. Bonds6

About 5-bromo-2-ethoxy-N-[(2-methoxyphenyl)methylideneamino]benzamide

5-bromo-2-ethoxy-N-[(2-methoxyphenyl)methylideneamino]benzamide (PubChem CID 4101486) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-N-[(2-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N-[(2-methoxyphenyl)methylideneamino]benzamide
PubChem CID4101486
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC Name5-bromo-2-ethoxy-N-[(2-methoxyphenyl)methylideneamino]benzamide
SMILESCCOc1ccc(Br)cc1C(=O)NN=Cc1ccccc1OC
InChIInChI=1S/C17H17BrN2O3/c1-3-23-16-9-8-13(18)10-14(16)17(21)20-19-11-12-6-4-5-7-15(12)22-2/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyHTUSWVANCOOIOL-UHFFFAOYSA-N
XLogP3.62
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5-bromo-N-[(E)-(6-ethoxy-1,3-benzodioxol-5-yl)methylideneamino]-2-methoxybenzamide
CID 126100905
5-bromo-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 5213749
5-bromo-N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 4080043
5-bromo-2-ethoxy-N-[(3-methoxyphenyl)methylideneamino]benzamide
CID 71960212
5-bromo-2-ethoxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136843563
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6272851
5-bromo-2-hydroxy-N-[(2-pentoxyphenyl)methylideneamino]benzamide
CID 3538780
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 6009117
4-bromo-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5404678
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-ethoxy-4-methoxybenzamide
CID 137045325
3-bromo-N-[(5-bromo-2-methoxyphenyl)methylideneamino]benzamide
CID 1245790
5-bromo-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 136815793

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N-[(2-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 5-bromo-2-ethoxy-N-[(2-methoxyphenyl)methylideneamino]benzamide (CID 4101486) is 5-bromo-2-ethoxy-N-[(2-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 5-bromo-2-ethoxy-N-[(2-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 5-bromo-2-ethoxy-N-[(2-methoxyphenyl)methylideneamino]benzamide is CCOc1ccc(Br)cc1C(=O)NN=Cc1ccccc1OC.
What is the InChIKey of 5-bromo-2-ethoxy-N-[(2-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is HTUSWVANCOOIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-3-23-16-9-8-13(18)10-14(16)17(21)20-19-11-12-6-4-5-7-15(12)22-2/h4-11H,3H2,1-2H3,(H,20,21).
What are the key properties of 5-bromo-2-ethoxy-N-[(2-methoxyphenyl)methylideneamino]benzamide?
5-bromo-2-ethoxy-N-[(2-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 377.24 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethoxy-N-[(2-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 4101486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).