5-bromo-N-[(3-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide

C22H19BrN2O3 — CID 71960112

IUPAC5-bromo-N-[(3-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
SMILESCOc1cccc(C=NNC(=O)c2cc(Br)ccc2OCc2ccccc2)c1
InChIInChI=1S/C22H19BrN2O3/c1-27-19-9-5-8-17(12-19)14-24-25-22(26)20-13-18(23)10-11-21(20)28-15-16-6-3-2-4-7-16/h2-14H,15H2,1H3,(H,25,26)
InChIKeyGBRHOYLCGXYFCH-UHFFFAOYSA-N
MW439.31 g/mol
LogP4.80
Rot. Bonds7

About 5-bromo-N-[(3-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide

5-bromo-N-[(3-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide (PubChem CID 71960112) has the molecular formula C22H19BrN2O3 and a molecular weight of 439.31 g/mol. Its IUPAC name is 5-bromo-N-[(3-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[(3-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
PubChem CID71960112
Molecular FormulaC22H19BrN2O3
Molecular Weight439.31 g/mol
Exact Mass438.06
IUPAC Name5-bromo-N-[(3-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
SMILESCOc1cccc(C=NNC(=O)c2cc(Br)ccc2OCc2ccccc2)c1
InChIInChI=1S/C22H19BrN2O3/c1-27-19-9-5-8-17(12-19)14-24-25-22(26)20-13-18(23)10-11-21(20)28-15-16-6-3-2-4-7-16/h2-14H,15H2,1H3,(H,25,26)
InChIKeyGBRHOYLCGXYFCH-UHFFFAOYSA-N
XLogP4.80
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 54.80
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-2-ethoxy-N-[(3-methoxyphenyl)methylideneamino]benzamide
CID 71960212
5-bromo-2-methoxy-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 94836303
N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide
CID 6294964
5-bromo-2-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 5335668
5-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylmethoxybenzamide
CID 92848012
5-bromo-N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 4080043
[4-[(Z)-[(5-bromo-2-phenylmethoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-chlorobenzoate
CID 6035159
5-bromo-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 5213749
5-bromo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-phenylmethoxybenzamide
CID 46498112
2-bromo-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4167953
N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2,4-dimethoxybenzamide
CID 6289868
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657891

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide?
The IUPAC name of 5-bromo-N-[(3-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide (CID 71960112) is 5-bromo-N-[(3-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide.
What is the SMILES notation for 5-bromo-N-[(3-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide?
The canonical SMILES for 5-bromo-N-[(3-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide is COc1cccc(C=NNC(=O)c2cc(Br)ccc2OCc2ccccc2)c1.
What is the InChIKey of 5-bromo-N-[(3-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide?
The InChIKey is GBRHOYLCGXYFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O3/c1-27-19-9-5-8-17(12-19)14-24-25-22(26)20-13-18(23)10-11-21(20)28-15-16-6-3-2-4-7-16/h2-14H,15H2,1H3,(H,25,26).
What are the key properties of 5-bromo-N-[(3-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide?
5-bromo-N-[(3-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide has a molecular weight of 439.31 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide is sourced from PubChem (CID 71960112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).