4-[(E)-2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-N-hydroxybenzamide

C17H16BrNO4 — CID 171352733

IUPAC4-[(E)-2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-N-hydroxybenzamide
SMILESCOc1cc(Br)c(/C=C/c2ccc(C(=O)NO)cc2)cc1OC
InChIInChI=1S/C17H16BrNO4/c1-22-15-9-13(14(18)10-16(15)23-2)8-5-11-3-6-12(7-4-11)17(20)19-21/h3-10,21H,1-2H3,(H,19,20)/b8-5+
InChIKeyKJVSGEXYQFXTKC-VMPITWQZSA-N
MW378.22 g/mol
LogP3.76
Rot. Bonds5

About 4-[(E)-2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-N-hydroxybenzamide

4-[(E)-2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-N-hydroxybenzamide (PubChem CID 171352733) has the molecular formula C17H16BrNO4 and a molecular weight of 378.22 g/mol. Its IUPAC name is 4-[(E)-2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(E)-2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-N-hydroxybenzamide
PubChem CID171352733
Molecular FormulaC17H16BrNO4
Molecular Weight378.22 g/mol
Exact Mass377.03
IUPAC Name4-[(E)-2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-N-hydroxybenzamide
SMILESCOc1cc(Br)c(/C=C/c2ccc(C(=O)NO)cc2)cc1OC
InChIInChI=1S/C17H16BrNO4/c1-22-15-9-13(14(18)10-16(15)23-2)8-5-11-3-6-12(7-4-11)17(20)19-21/h3-10,21H,1-2H3,(H,19,20)/b8-5+
InChIKeyKJVSGEXYQFXTKC-VMPITWQZSA-N
XLogP3.76
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enoic acid
CID 735828
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 9016566
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 1001834
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 5430724
3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enehydrazide
CID 131848176
1-bromo-2-[(E)-2-(2-iodo-4,5-dimethoxyphenyl)ethenyl]-4,5-dimethoxybenzene
CID 102181393
3-[(E)-2-(4-bromophenyl)ethenyl]-4-methoxybenzamide
CID 23141385
(E)-1,3-bis(2-bromo-4,5-dimethoxyphenyl)prop-2-en-1-one
CID 6000582
1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
CID 126493303
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 9015072
N-hydroxy-4-[[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]methyl]benzamide
CID 175347350
2-bromo-4,5-dimethoxy-N-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide
CID 14526426

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(E)-2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-N-hydroxybenzamide (CID 171352733) is 4-[(E)-2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(E)-2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(E)-2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-N-hydroxybenzamide is COc1cc(Br)c(/C=C/c2ccc(C(=O)NO)cc2)cc1OC.
What is the InChIKey of 4-[(E)-2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-N-hydroxybenzamide?
The InChIKey is KJVSGEXYQFXTKC-VMPITWQZSA-N. The full InChI is InChI=1S/C17H16BrNO4/c1-22-15-9-13(14(18)10-16(15)23-2)8-5-11-3-6-12(7-4-11)17(20)19-21/h3-10,21H,1-2H3,(H,19,20)/b8-5+.
What are the key properties of 4-[(E)-2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-N-hydroxybenzamide?
4-[(E)-2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-N-hydroxybenzamide has a molecular weight of 378.22 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-N-hydroxybenzamide is sourced from PubChem (CID 171352733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).