4-bromo-2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide

C12H17BrN2O3 — CID 83038903

IUPAC4-bromo-2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
SMILESCOCCNCCNC(=O)c1ccc(Br)cc1O
InChIInChI=1S/C12H17BrN2O3/c1-18-7-6-14-4-5-15-12(17)10-3-2-9(13)8-11(10)16/h2-3,8,14,16H,4-7H2,1H3,(H,15,17)
InChIKeySYVFDKWVASVEND-UHFFFAOYSA-N
MW317.18 g/mol
LogP1.12
Rot. Bonds7

About 4-bromo-2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide

4-bromo-2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide (PubChem CID 83038903) has the molecular formula C12H17BrN2O3 and a molecular weight of 317.18 g/mol. Its IUPAC name is 4-bromo-2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
PubChem CID83038903
Molecular FormulaC12H17BrN2O3
Molecular Weight317.18 g/mol
Exact Mass316.04
IUPAC Name4-bromo-2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
SMILESCOCCNCCNC(=O)c1ccc(Br)cc1O
InChIInChI=1S/C12H17BrN2O3/c1-18-7-6-14-4-5-15-12(17)10-3-2-9(13)8-11(10)16/h2-3,8,14,16H,4-7H2,1H3,(H,15,17)
InChIKeySYVFDKWVASVEND-UHFFFAOYSA-N
XLogP1.12
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 82994336
2-hydroxy-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 83039381
2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 83039586
2,4-dibromo-N-(2-methoxyethyl)benzamide
CID 103882043
4-bromo-2-hydroxy-N-(2-propan-2-yloxyethyl)benzamide
CID 113429309
4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-2-hydroxybenzamide
CID 83120499
2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]-5-methylbenzamide
CID 83039378
4-bromo-2-hydroxy-N-(4-methylpentyl)benzamide
CID 63528181
4-bromo-N-(2-but-3-enoxyethyl)-2-hydroxybenzamide
CID 103857022
4-bromo-N-(2-cyanoethyl)-2-hydroxybenzamide
CID 55210646
2,5-dibromo-1-N,4-N-bis(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 34673873
4-bromo-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 47435886

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide?
The IUPAC name of 4-bromo-2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide (CID 83038903) is 4-bromo-2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide.
What is the SMILES notation for 4-bromo-2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide?
The canonical SMILES for 4-bromo-2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide is COCCNCCNC(=O)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide?
The InChIKey is SYVFDKWVASVEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3/c1-18-7-6-14-4-5-15-12(17)10-3-2-9(13)8-11(10)16/h2-3,8,14,16H,4-7H2,1H3,(H,15,17).
What are the key properties of 4-bromo-2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide?
4-bromo-2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide has a molecular weight of 317.18 g/mol, XLogP of 1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide is sourced from PubChem (CID 83038903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).