2-bromo-N-(2,2-dichloroethenyl)benzamide

C9H6BrCl2NO — CID 171776552

IUPAC2-bromo-N-(2,2-dichloroethenyl)benzamide
SMILESO=C(NC=C(Cl)Cl)c1ccccc1Br
InChIInChI=1S/C9H6BrCl2NO/c10-7-4-2-1-3-6(7)9(14)13-5-8(11)12/h1-5H,(H,13,14)
InChIKeyUEBUUUYDPAZVPV-UHFFFAOYSA-N
MW294.96 g/mol
LogP3.46
Rot. Bonds2

About 2-bromo-N-(2,2-dichloroethenyl)benzamide

2-bromo-N-(2,2-dichloroethenyl)benzamide (PubChem CID 171776552) has the molecular formula C9H6BrCl2NO and a molecular weight of 294.96 g/mol. Its IUPAC name is 2-bromo-N-(2,2-dichloroethenyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2,2-dichloroethenyl)benzamide
PubChem CID171776552
Molecular FormulaC9H6BrCl2NO
Molecular Weight294.96 g/mol
Exact Mass292.90
IUPAC Name2-bromo-N-(2,2-dichloroethenyl)benzamide
SMILESO=C(NC=C(Cl)Cl)c1ccccc1Br
InChIInChI=1S/C9H6BrCl2NO/c10-7-4-2-1-3-6(7)9(14)13-5-8(11)12/h1-5H,(H,13,14)
InChIKeyUEBUUUYDPAZVPV-UHFFFAOYSA-N
XLogP3.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.96
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,2-dichloroethenyl)benzamide?
The IUPAC name of 2-bromo-N-(2,2-dichloroethenyl)benzamide (CID 171776552) is 2-bromo-N-(2,2-dichloroethenyl)benzamide.
What is the SMILES notation for 2-bromo-N-(2,2-dichloroethenyl)benzamide?
The canonical SMILES for 2-bromo-N-(2,2-dichloroethenyl)benzamide is O=C(NC=C(Cl)Cl)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2,2-dichloroethenyl)benzamide?
The InChIKey is UEBUUUYDPAZVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrCl2NO/c10-7-4-2-1-3-6(7)9(14)13-5-8(11)12/h1-5H,(H,13,14).
What are the key properties of 2-bromo-N-(2,2-dichloroethenyl)benzamide?
2-bromo-N-(2,2-dichloroethenyl)benzamide has a molecular weight of 294.96 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,2-dichloroethenyl)benzamide is sourced from PubChem (CID 171776552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).