4-bromo-3-[(E)-2-(4-chlorophenyl)ethenyl]benzamide

C15H11BrClNO — CID 23141518

IUPAC4-bromo-3-[(E)-2-(4-chlorophenyl)ethenyl]benzamide
SMILESNC(=O)c1ccc(Br)c(/C=C/c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H11BrClNO/c16-14-8-5-12(15(18)19)9-11(14)4-1-10-2-6-13(17)7-3-10/h1-9H,(H2,18,19)/b4-1+
InChIKeyLGWZGQXWYXWSNE-DAFODLJHSA-N
MW336.62 g/mol
LogP4.37
Rot. Bonds3

About 4-bromo-3-[(E)-2-(4-chlorophenyl)ethenyl]benzamide

4-bromo-3-[(E)-2-(4-chlorophenyl)ethenyl]benzamide (PubChem CID 23141518) has the molecular formula C15H11BrClNO and a molecular weight of 336.62 g/mol. Its IUPAC name is 4-bromo-3-[(E)-2-(4-chlorophenyl)ethenyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-[(E)-2-(4-chlorophenyl)ethenyl]benzamide
PubChem CID23141518
Molecular FormulaC15H11BrClNO
Molecular Weight336.62 g/mol
Exact Mass334.97
IUPAC Name4-bromo-3-[(E)-2-(4-chlorophenyl)ethenyl]benzamide
SMILESNC(=O)c1ccc(Br)c(/C=C/c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H11BrClNO/c16-14-8-5-12(15(18)19)9-11(14)4-1-10-2-6-13(17)7-3-10/h1-9H,(H2,18,19)/b4-1+
InChIKeyLGWZGQXWYXWSNE-DAFODLJHSA-N
XLogP4.37
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.62
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3-[(E)-2-(4-chlorophenyl)ethenyl]benzoic acid
CID 23141451
3-[(E)-2-(4-chlorophenyl)ethenyl]-4-cyanobenzamide
CID 23141418
CID 88944737
CID 88944737
3-[(E)-2-(4-bromophenyl)ethenyl]-4-methoxybenzamide
CID 23141385
4-chloro(13C)benzamide
CID 175798194
4-chlorobenzamide
CID 12084
3-[2-(4-fluorophenyl)ethenyl]-4-methoxybenzamide
CID 67002282
(Z)-3-(4-chlorophenyl)prop-2-enamide
CID 25021411
4-chloro-2-[(E)-2-phenylethenyl]benzamide
CID 10106537
4-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]benzamide
CID 6213409
4-methoxy-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzamide
CID 23141524
3-bromo-4-chlorobenzamide;3-bromo-4-chlorobenzoic acid
CID 161088478

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[(E)-2-(4-chlorophenyl)ethenyl]benzamide?
The IUPAC name of 4-bromo-3-[(E)-2-(4-chlorophenyl)ethenyl]benzamide (CID 23141518) is 4-bromo-3-[(E)-2-(4-chlorophenyl)ethenyl]benzamide.
What is the SMILES notation for 4-bromo-3-[(E)-2-(4-chlorophenyl)ethenyl]benzamide?
The canonical SMILES for 4-bromo-3-[(E)-2-(4-chlorophenyl)ethenyl]benzamide is NC(=O)c1ccc(Br)c(/C=C/c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-bromo-3-[(E)-2-(4-chlorophenyl)ethenyl]benzamide?
The InChIKey is LGWZGQXWYXWSNE-DAFODLJHSA-N. The full InChI is InChI=1S/C15H11BrClNO/c16-14-8-5-12(15(18)19)9-11(14)4-1-10-2-6-13(17)7-3-10/h1-9H,(H2,18,19)/b4-1+.
What are the key properties of 4-bromo-3-[(E)-2-(4-chlorophenyl)ethenyl]benzamide?
4-bromo-3-[(E)-2-(4-chlorophenyl)ethenyl]benzamide has a molecular weight of 336.62 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[(E)-2-(4-chlorophenyl)ethenyl]benzamide is sourced from PubChem (CID 23141518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).