2,5-dibromo-N-(2-chloroprop-2-enyl)benzamide

C10H8Br2ClNO — CID 114372871

IUPAC2,5-dibromo-N-(2-chloroprop-2-enyl)benzamide
SMILESC=C(Cl)CNC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C10H8Br2ClNO/c1-6(13)5-14-10(15)8-4-7(11)2-3-9(8)12/h2-4H,1,5H2,(H,14,15)
InChIKeyPVGTURVTKYKJEU-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.69
Rot. Bonds3

About 2,5-dibromo-N-(2-chloroprop-2-enyl)benzamide

2,5-dibromo-N-(2-chloroprop-2-enyl)benzamide (PubChem CID 114372871) has the molecular formula C10H8Br2ClNO and a molecular weight of 353.44 g/mol. Its IUPAC name is 2,5-dibromo-N-(2-chloroprop-2-enyl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2-chloroprop-2-enyl)benzamide
PubChem CID114372871
Molecular FormulaC10H8Br2ClNO
Molecular Weight353.44 g/mol
Exact Mass350.87
IUPAC Name2,5-dibromo-N-(2-chloroprop-2-enyl)benzamide
SMILESC=C(Cl)CNC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C10H8Br2ClNO/c1-6(13)5-14-10(15)8-4-7(11)2-3-9(8)12/h2-4H,1,5H2,(H,14,15)
InChIKeyPVGTURVTKYKJEU-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dibromo-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 114370284
N-(3-aminopropyl)-2,5-dibromobenzamide
CID 114368344
2,5-dibromo-N-(cyclopropylmethyl)benzamide
CID 114369762
2,5-dibromo-N-(2-chlorobutyl)benzamide
CID 114375877
3-bromo-N-(2-chloroprop-2-enyl)-2-methylbenzamide
CID 115659974
2,5-dibromo-N-[2-(ethylamino)ethyl]benzamide
CID 114374303
2,5-dibromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 104920342
1-(2,5-dibromophenyl)-3-methylbut-3-en-1-one
CID 115780571
2,5-dibromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzamide
CID 104920627
2-amino-N-(2-chloroprop-2-enyl)-5-hydroxybenzamide
CID 107076012
2,5-dibromo-N-(4-hydroxypentyl)benzamide
CID 107300307
2,5-dibromo-N-(2,2-dicyclopropylethyl)benzamide
CID 114372498

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2-chloroprop-2-enyl)benzamide?
The IUPAC name of 2,5-dibromo-N-(2-chloroprop-2-enyl)benzamide (CID 114372871) is 2,5-dibromo-N-(2-chloroprop-2-enyl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(2-chloroprop-2-enyl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(2-chloroprop-2-enyl)benzamide is C=C(Cl)CNC(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(2-chloroprop-2-enyl)benzamide?
The InChIKey is PVGTURVTKYKJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2ClNO/c1-6(13)5-14-10(15)8-4-7(11)2-3-9(8)12/h2-4H,1,5H2,(H,14,15).
What are the key properties of 2,5-dibromo-N-(2-chloroprop-2-enyl)benzamide?
2,5-dibromo-N-(2-chloroprop-2-enyl)benzamide has a molecular weight of 353.44 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2-chloroprop-2-enyl)benzamide is sourced from PubChem (CID 114372871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).