4-bromo-N-(2-cyanoethyl)-2-hydroxybenzamide

C10H9BrN2O2 — CID 55210646

IUPAC4-bromo-N-(2-cyanoethyl)-2-hydroxybenzamide
SMILESN#CCCNC(=O)c1ccc(Br)cc1O
InChIInChI=1S/C10H9BrN2O2/c11-7-2-3-8(9(14)6-7)10(15)13-5-1-4-12/h2-3,6,14H,1,5H2,(H,13,15)
InChIKeyGKGDTYHIDMNLMO-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.80
Rot. Bonds3

About 4-bromo-N-(2-cyanoethyl)-2-hydroxybenzamide

4-bromo-N-(2-cyanoethyl)-2-hydroxybenzamide (PubChem CID 55210646) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 4-bromo-N-(2-cyanoethyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-cyanoethyl)-2-hydroxybenzamide
PubChem CID55210646
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name4-bromo-N-(2-cyanoethyl)-2-hydroxybenzamide
SMILESN#CCCNC(=O)c1ccc(Br)cc1O
InChIInChI=1S/C10H9BrN2O2/c11-7-2-3-8(9(14)6-7)10(15)13-5-1-4-12/h2-3,6,14H,1,5H2,(H,13,15)
InChIKeyGKGDTYHIDMNLMO-UHFFFAOYSA-N
XLogP1.80
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-2-hydroxybenzamide
CID 83120499
4-bromo-N-[(4-cyanophenyl)methyl]-2-hydroxybenzamide
CID 47466194
4-bromo-2-hydroxy-N-(4-methylpentyl)benzamide
CID 63528181
4-bromo-2-hydroxy-N-(2-propan-2-yloxyethyl)benzamide
CID 113429309
4-bromo-2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 83038903
5-bromo-N-(4-cyanobutyl)-2-methylbenzamide
CID 65307660
3,5-dibromo-N-(2-cyanoethyl)benzamide
CID 107168327
4-bromo-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115598731
4-bromo-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 47435886
2-bromo-N-(2-cyanoethyl)-5-methylbenzamide
CID 81109980
5-bromo-N-(4-cyanobutyl)-2-fluorobenzamide
CID 63284457
4-bromo-N-[4-(cyanomethyl)phenyl]-2-hydroxybenzamide
CID 60598960

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-cyanoethyl)-2-hydroxybenzamide?
The IUPAC name of 4-bromo-N-(2-cyanoethyl)-2-hydroxybenzamide (CID 55210646) is 4-bromo-N-(2-cyanoethyl)-2-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-(2-cyanoethyl)-2-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-(2-cyanoethyl)-2-hydroxybenzamide is N#CCCNC(=O)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-N-(2-cyanoethyl)-2-hydroxybenzamide?
The InChIKey is GKGDTYHIDMNLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c11-7-2-3-8(9(14)6-7)10(15)13-5-1-4-12/h2-3,6,14H,1,5H2,(H,13,15).
What are the key properties of 4-bromo-N-(2-cyanoethyl)-2-hydroxybenzamide?
4-bromo-N-(2-cyanoethyl)-2-hydroxybenzamide has a molecular weight of 269.10 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-cyanoethyl)-2-hydroxybenzamide is sourced from PubChem (CID 55210646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).