2-bromo-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide

C20H15BrN2O2 — CID 6896085

IUPAC2-bromo-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccccc1Br
InChIInChI=1S/C20H15BrN2O2/c21-19-12-5-4-11-18(19)20(24)23-22-14-15-7-6-10-17(13-15)25-16-8-2-1-3-9-16/h1-14H,(H,23,24)/b22-14+
InChIKeyLVBYNIUCHZSUCS-HYARGMPZSA-N
MW395.26 g/mol
LogP5.01
Rot. Bonds5

About 2-bromo-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide

2-bromo-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide (PubChem CID 6896085) has the molecular formula C20H15BrN2O2 and a molecular weight of 395.26 g/mol. Its IUPAC name is 2-bromo-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
PubChem CID6896085
Molecular FormulaC20H15BrN2O2
Molecular Weight395.26 g/mol
Exact Mass394.03
IUPAC Name2-bromo-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccccc1Br
InChIInChI=1S/C20H15BrN2O2/c21-19-12-5-4-11-18(19)20(24)23-22-14-15-7-6-10-17(13-15)25-16-8-2-1-3-9-16/h1-14H,(H,23,24)/b22-14+
InChIKeyLVBYNIUCHZSUCS-HYARGMPZSA-N
XLogP5.01
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.26
LogP ≤ 55.01
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

4-(benzyloxy)-N'-[(E)-phenylmethylidene]benzohydrazide
CID 9598505
3-hydroxy-N'-[(E)-(3-phenoxyphenyl)methylidene]benzohydrazide
CID 6911430
N'-[(E)-{4-[(4-fluorobenzyl)oxy]phenyl}methylidene]benzohydrazide
CID 9580240
N'-(3-(Benzyloxy)benzylidene)-4-bromobenzohydrazide
CID 6868981
N'-[(E)-(3-methoxyphenyl)methylidene]benzohydrazide
CID 6898738
N'-(3-bromo-4-ethoxy-5-methoxybenzylidene)benzohydrazide
CID 5453070
4-bromo-N'-[(E)-(2-methoxyphenyl)methylidene]benzohydrazide
CID 6870906
[3-[(E)-[(3-fluorobenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 6877457
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-methoxybenzamide
CID 6899759
4-bromo-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]benzamide
CID 6904574
4-bromo-N'-[4-(1,4-dioxan-2-ylmethoxy)benzylidene]benzohydrazide
CID 9566983
4-[(3-bromobenzyl)oxy]-N'-(3-methoxybenzylidene)benzohydrazide
CID 9585083

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-bromo-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide (CID 6896085) is 2-bromo-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-bromo-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-bromo-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide is O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide?
The InChIKey is LVBYNIUCHZSUCS-HYARGMPZSA-N. The full InChI is InChI=1S/C20H15BrN2O2/c21-19-12-5-4-11-18(19)20(24)23-22-14-15-7-6-10-17(13-15)25-16-8-2-1-3-9-16/h1-14H,(H,23,24)/b22-14+.
What are the key properties of 2-bromo-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide?
2-bromo-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide has a molecular weight of 395.26 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6896085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).