4-bromo-N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide

C21H16Br2N2O2 — CID 3685682

IUPAC4-bromo-N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESO=C(NN=Cc1cccc(OCc2cccc(Br)c2)c1)c1ccc(Br)cc1
InChIInChI=1S/C21H16Br2N2O2/c22-18-9-7-17(8-10-18)21(26)25-24-13-15-3-2-6-20(12-15)27-14-16-4-1-5-19(23)11-16/h1-13H,14H2,(H,25,26)
InChIKeyDPAHLXUEUAMLFA-UHFFFAOYSA-N
MW488.18 g/mol
LogP5.55
Rot. Bonds6

About 4-bromo-N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide

4-bromo-N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide (PubChem CID 3685682) has the molecular formula C21H16Br2N2O2 and a molecular weight of 488.18 g/mol. Its IUPAC name is 4-bromo-N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-bromo-N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide
PubChem CID3685682
Molecular FormulaC21H16Br2N2O2
Molecular Weight488.18 g/mol
Exact Mass485.96
IUPAC Name4-bromo-N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESO=C(NN=Cc1cccc(OCc2cccc(Br)c2)c1)c1ccc(Br)cc1
InChIInChI=1S/C21H16Br2N2O2/c22-18-9-7-17(8-10-18)21(26)25-24-13-15-3-2-6-20(12-15)27-14-16-4-1-5-19(23)11-16/h1-13H,14H2,(H,25,26)
InChIKeyDPAHLXUEUAMLFA-UHFFFAOYSA-N
XLogP5.55
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.18
LogP ≤ 55.55
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-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 4128401
4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6900167
4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 679117
4-bromo-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 126375379
4-[(3-bromophenyl)methoxy]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135601126
4-[(4-bromophenyl)methoxy]-N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 124543069
4-bromo-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 6907430
N-[(Z)-[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylideneamino]benzamide
CID 6082472
N-(benzylideneamino)-4-[(4-bromophenyl)methoxy]benzamide
CID 171131767
4-[(3-bromophenyl)methoxy]-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
CID 3885983
4-acetamido-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6134944
4-[(4-chlorophenyl)methoxy]-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3585979

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide?
The IUPAC name of 4-bromo-N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide (CID 3685682) is 4-bromo-N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-bromo-N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-bromo-N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide is O=C(NN=Cc1cccc(OCc2cccc(Br)c2)c1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide?
The InChIKey is DPAHLXUEUAMLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Br2N2O2/c22-18-9-7-17(8-10-18)21(26)25-24-13-15-3-2-6-20(12-15)27-14-16-4-1-5-19(23)11-16/h1-13H,14H2,(H,25,26).
What are the key properties of 4-bromo-N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide?
4-bromo-N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide has a molecular weight of 488.18 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 3685682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).