N-(benzylideneamino)-4-[(4-bromophenyl)methoxy]benzamide

C21H17BrN2O2 — CID 171131767

IUPACN-(benzylideneamino)-4-[(4-bromophenyl)methoxy]benzamide
SMILESO=C(NN=Cc1ccccc1)c1ccc(OCc2ccc(Br)cc2)cc1
InChIInChI=1S/C21H17BrN2O2/c22-19-10-6-17(7-11-19)15-26-20-12-8-18(9-13-20)21(25)24-23-14-16-4-2-1-3-5-16/h1-14H,15H2,(H,24,25)
InChIKeyKWURSYWWWLDRIM-UHFFFAOYSA-N
MW409.28 g/mol
LogP4.79
Rot. Bonds6

About N-(benzylideneamino)-4-[(4-bromophenyl)methoxy]benzamide

N-(benzylideneamino)-4-[(4-bromophenyl)methoxy]benzamide (PubChem CID 171131767) has the molecular formula C21H17BrN2O2 and a molecular weight of 409.28 g/mol. Its IUPAC name is N-(benzylideneamino)-4-[(4-bromophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-(benzylideneamino)-4-[(4-bromophenyl)methoxy]benzamide
PubChem CID171131767
Molecular FormulaC21H17BrN2O2
Molecular Weight409.28 g/mol
Exact Mass408.05
IUPAC NameN-(benzylideneamino)-4-[(4-bromophenyl)methoxy]benzamide
SMILESO=C(NN=Cc1ccccc1)c1ccc(OCc2ccc(Br)cc2)cc1
InChIInChI=1S/C21H17BrN2O2/c22-19-10-6-17(7-11-19)15-26-20-12-8-18(9-13-20)21(25)24-23-14-16-4-2-1-3-5-16/h1-14H,15H2,(H,24,25)
InChIKeyKWURSYWWWLDRIM-UHFFFAOYSA-N
XLogP4.79
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.28
LogP ≤ 54.79
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

N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 136845072
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-chlorobenzamide
CID 21379709
4-[(4-bromophenyl)methoxy]-N-[(Z)-(4-iodophenyl)methylideneamino]benzamide
CID 98677523
2-[4-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8518057
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 573095
N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932926
4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 584913
4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6117105
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 21380160
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6046963
4-[(4-bromophenyl)methoxy]-N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 124543069

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-4-[(4-bromophenyl)methoxy]benzamide?
The IUPAC name of N-(benzylideneamino)-4-[(4-bromophenyl)methoxy]benzamide (CID 171131767) is N-(benzylideneamino)-4-[(4-bromophenyl)methoxy]benzamide.
What is the SMILES notation for N-(benzylideneamino)-4-[(4-bromophenyl)methoxy]benzamide?
The canonical SMILES for N-(benzylideneamino)-4-[(4-bromophenyl)methoxy]benzamide is O=C(NN=Cc1ccccc1)c1ccc(OCc2ccc(Br)cc2)cc1.
What is the InChIKey of N-(benzylideneamino)-4-[(4-bromophenyl)methoxy]benzamide?
The InChIKey is KWURSYWWWLDRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2O2/c22-19-10-6-17(7-11-19)15-26-20-12-8-18(9-13-20)21(25)24-23-14-16-4-2-1-3-5-16/h1-14H,15H2,(H,24,25).
What are the key properties of N-(benzylideneamino)-4-[(4-bromophenyl)methoxy]benzamide?
N-(benzylideneamino)-4-[(4-bromophenyl)methoxy]benzamide has a molecular weight of 409.28 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-4-[(4-bromophenyl)methoxy]benzamide is sourced from PubChem (CID 171131767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).