4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-2-hydroxybenzamide

C12H16BrN3O3 — CID 83120499

IUPAC4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-2-hydroxybenzamide
SMILESCN(C)C(=O)NCCNC(=O)c1ccc(Br)cc1O
InChIInChI=1S/C12H16BrN3O3/c1-16(2)12(19)15-6-5-14-11(18)9-4-3-8(13)7-10(9)17/h3-4,7,17H,5-6H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyRUELIMJEDGNEQL-UHFFFAOYSA-N
MW330.18 g/mol
LogP1.16
Rot. Bonds4

About 4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-2-hydroxybenzamide

4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-2-hydroxybenzamide (PubChem CID 83120499) has the molecular formula C12H16BrN3O3 and a molecular weight of 330.18 g/mol. Its IUPAC name is 4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-2-hydroxybenzamide
PubChem CID83120499
Molecular FormulaC12H16BrN3O3
Molecular Weight330.18 g/mol
Exact Mass329.04
IUPAC Name4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-2-hydroxybenzamide
SMILESCN(C)C(=O)NCCNC(=O)c1ccc(Br)cc1O
InChIInChI=1S/C12H16BrN3O3/c1-16(2)12(19)15-6-5-14-11(18)9-4-3-8(13)7-10(9)17/h3-4,7,17H,5-6H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyRUELIMJEDGNEQL-UHFFFAOYSA-N
XLogP1.16
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 51.16
H-Bond Donors ≤ 53
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-methoxybenzamide
CID 83121333
4-bromo-2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 83038903
4-bromo-2-hydroxy-N-(4-methylpentyl)benzamide
CID 63528181
4-bromo-2-hydroxy-N-(2-propan-2-yloxyethyl)benzamide
CID 113429309
2-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-4-fluorobenzamide
CID 83120854
4-bromo-N-(2-cyanoethyl)-2-hydroxybenzamide
CID 55210646
4-bromo-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 47435886
4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-3-hydroxybenzamide
CID 103958299
4-bromo-2-hydroxy-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65110103
4-bromo-2-hydroxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906485
2,4-dibromo-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 103882713
4-bromo-N-(5-chloro-4-methylpentyl)-2-hydroxybenzamide
CID 106156782

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-2-hydroxybenzamide?
The IUPAC name of 4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-2-hydroxybenzamide (CID 83120499) is 4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-2-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-2-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-2-hydroxybenzamide is CN(C)C(=O)NCCNC(=O)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-2-hydroxybenzamide?
The InChIKey is RUELIMJEDGNEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O3/c1-16(2)12(19)15-6-5-14-11(18)9-4-3-8(13)7-10(9)17/h3-4,7,17H,5-6H2,1-2H3,(H,14,18)(H,15,19).
What are the key properties of 4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-2-hydroxybenzamide?
4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-2-hydroxybenzamide has a molecular weight of 330.18 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-2-hydroxybenzamide is sourced from PubChem (CID 83120499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).