N-[(E)-(2-bromo-5-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide

C28H23BrN2O3 — CID 6874271

IUPACN-[(E)-(2-bromo-5-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
SMILESO=C(N/N=C/c1cc(OCc2ccccc2)ccc1Br)c1ccccc1OCc1ccccc1
InChIInChI=1S/C28H23BrN2O3/c29-26-16-15-24(33-19-21-9-3-1-4-10-21)17-23(26)18-30-31-28(32)25-13-7-8-14-27(25)34-20-22-11-5-2-6-12-22/h1-18H,19-20H2,(H,31,32)/b30-18+
InChIKeyGIFBPOSEOHNERP-UXHLAJHPSA-N
MW515.41 g/mol
LogP6.37
Rot. Bonds9

About N-[(E)-(2-bromo-5-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide

N-[(E)-(2-bromo-5-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide (PubChem CID 6874271) has the molecular formula C28H23BrN2O3 and a molecular weight of 515.41 g/mol. Its IUPAC name is N-[(E)-(2-bromo-5-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(2-bromo-5-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
PubChem CID6874271
Molecular FormulaC28H23BrN2O3
Molecular Weight515.41 g/mol
Exact Mass514.09
IUPAC NameN-[(E)-(2-bromo-5-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
SMILESO=C(N/N=C/c1cc(OCc2ccccc2)ccc1Br)c1ccccc1OCc1ccccc1
InChIInChI=1S/C28H23BrN2O3/c29-26-16-15-24(33-19-21-9-3-1-4-10-21)17-23(26)18-30-31-28(32)25-13-7-8-14-27(25)34-20-22-11-5-2-6-12-22/h1-18H,19-20H2,(H,31,32)/b30-18+
InChIKeyGIFBPOSEOHNERP-UXHLAJHPSA-N
XLogP6.37
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.41
LogP ≤ 56.37
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

N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657891
N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657799
N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657755
2-[(4-bromophenyl)methoxy]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 97413810
2-[(4-bromophenyl)methoxy]-N-[(2,4-dichlorophenyl)methylideneamino]benzamide
CID 71960142
N-[(4-hydroxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 4937790
N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-phenylmethoxybenzamide
CID 136865247
N-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
CID 19657611
2,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4562741
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657742
2-methoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6068795
[4-bromo-2-[(Z)-[(2-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 6297254

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-bromo-5-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide?
The IUPAC name of N-[(E)-(2-bromo-5-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide (CID 6874271) is N-[(E)-(2-bromo-5-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide.
What is the SMILES notation for N-[(E)-(2-bromo-5-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide?
The canonical SMILES for N-[(E)-(2-bromo-5-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide is O=C(N/N=C/c1cc(OCc2ccccc2)ccc1Br)c1ccccc1OCc1ccccc1.
What is the InChIKey of N-[(E)-(2-bromo-5-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide?
The InChIKey is GIFBPOSEOHNERP-UXHLAJHPSA-N. The full InChI is InChI=1S/C28H23BrN2O3/c29-26-16-15-24(33-19-21-9-3-1-4-10-21)17-23(26)18-30-31-28(32)25-13-7-8-14-27(25)34-20-22-11-5-2-6-12-22/h1-18H,19-20H2,(H,31,32)/b30-18+.
What are the key properties of N-[(E)-(2-bromo-5-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide?
N-[(E)-(2-bromo-5-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide has a molecular weight of 515.41 g/mol, XLogP of 6.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-bromo-5-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide is sourced from PubChem (CID 6874271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).