3,5-dibromo-N-(2-cyanoethyl)benzamide

C10H8Br2N2O — CID 107168327

IUPAC3,5-dibromo-N-(2-cyanoethyl)benzamide
SMILESN#CCCNC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C10H8Br2N2O/c11-8-4-7(5-9(12)6-8)10(15)14-3-1-2-13/h4-6H,1,3H2,(H,14,15)
InChIKeyCJDBTFVMHSYCEH-UHFFFAOYSA-N
MW332.00 g/mol
LogP2.86
Rot. Bonds3

About 3,5-dibromo-N-(2-cyanoethyl)benzamide

3,5-dibromo-N-(2-cyanoethyl)benzamide (PubChem CID 107168327) has the molecular formula C10H8Br2N2O and a molecular weight of 332.00 g/mol. Its IUPAC name is 3,5-dibromo-N-(2-cyanoethyl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(2-cyanoethyl)benzamide
PubChem CID107168327
Molecular FormulaC10H8Br2N2O
Molecular Weight332.00 g/mol
Exact Mass329.90
IUPAC Name3,5-dibromo-N-(2-cyanoethyl)benzamide
SMILESN#CCCNC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C10H8Br2N2O/c11-8-4-7(5-9(12)6-8)10(15)14-3-1-2-13/h4-6H,1,3H2,(H,14,15)
InChIKeyCJDBTFVMHSYCEH-UHFFFAOYSA-N
XLogP2.86
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.00
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-dibromo-N-(2-sulfanylethyl)benzamide
CID 118586538
N-(2-aminoethyl)-3,5-dibromobenzamide
CID 107971787
4-amino-3,5-dichloro-N-(2-cyanoethyl)benzamide
CID 82832483
4-bromo-N-(2-cyanoethyl)-2-hydroxybenzamide
CID 55210646
N-(2-cyanoethyl)pyrimidine-5-carboxamide
CID 102921796
N-(2-cyanoethyl)-5-methylfuran-3-carboxamide
CID 114820618
4-bromo-N-(2-cyanoethyl)-3-nitrobenzamide
CID 60659323
3,5-dibromo-N-(2-imidazol-1-ylethyl)benzamide
CID 103907789
N-(2-cyanoethyl)-3-hydroxy-4-iodobenzamide
CID 107168316
3,5-dibromo-N-(4-methoxybutyl)benzamide
CID 103907947
3,5-dibromo-N-(2-phenylethyl)benzamide
CID 107980021
2-bromo-N-(2-cyanoethyl)-5-methylbenzamide
CID 81109980

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(2-cyanoethyl)benzamide?
The IUPAC name of 3,5-dibromo-N-(2-cyanoethyl)benzamide (CID 107168327) is 3,5-dibromo-N-(2-cyanoethyl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(2-cyanoethyl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(2-cyanoethyl)benzamide is N#CCCNC(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(2-cyanoethyl)benzamide?
The InChIKey is CJDBTFVMHSYCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2N2O/c11-8-4-7(5-9(12)6-8)10(15)14-3-1-2-13/h4-6H,1,3H2,(H,14,15).
What are the key properties of 3,5-dibromo-N-(2-cyanoethyl)benzamide?
3,5-dibromo-N-(2-cyanoethyl)benzamide has a molecular weight of 332.00 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(2-cyanoethyl)benzamide is sourced from PubChem (CID 107168327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).