4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide

C13H20BrN3O2 — CID 102129592

IUPAC4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide
SMILESCCN(CC)CCNC(=O)c1cc(Br)c(N)cc1O
InChIInChI=1S/C13H20BrN3O2/c1-3-17(4-2)6-5-16-13(19)9-7-10(14)11(15)8-12(9)18/h7-8,18H,3-6,15H2,1-2H3,(H,16,19)
InChIKeyQJAJFDKPSALKLN-UHFFFAOYSA-N
MW330.23 g/mol
LogP1.81
Rot. Bonds6

About 4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide

4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide (PubChem CID 102129592) has the molecular formula C13H20BrN3O2 and a molecular weight of 330.23 g/mol. Its IUPAC name is 4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide
PubChem CID102129592
Molecular FormulaC13H20BrN3O2
Molecular Weight330.23 g/mol
Exact Mass329.07
IUPAC Name4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide
SMILESCCN(CC)CCNC(=O)c1cc(Br)c(N)cc1O
InChIInChI=1S/C13H20BrN3O2/c1-3-17(4-2)6-5-16-13(19)9-7-10(14)11(15)8-12(9)18/h7-8,18H,3-6,15H2,1-2H3,(H,16,19)
InChIKeyQJAJFDKPSALKLN-UHFFFAOYSA-N
XLogP1.81
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-diamino-N-[2-(diethylamino)ethyl]benzamide
CID 21398311
4-amino-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide
CID 18999797
N-[2-(diethylamino)ethyl]-2-hydroxy-4-(methylamino)benzamide
CID 11514505
N-[2-(diethylamino)ethyl]-2-hydroxybenzamide;hydrochloride
CID 21331721
3-acetyl-4-amino-N-[2-(diethylamino)ethyl]benzamide
CID 143395890
2-amino-N-[2-(diethylamino)ethyl]-5-(2-ethylbutanoylamino)benzamide
CID 123784863
5-bromo-N-[2-(diethylamino)ethyl]-2-fluorobenzamide
CID 24691608
4-bromo-N-[2-(diethylamino)ethyl]-2-sulfanylbenzamide
CID 107019687
4-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide
CID 65358786
2-amino-N-[4-(diethylamino)butyl]-5-methylbenzamide
CID 110485996
2,4-diamino-N-[3-(diethylamino)propyl]benzamide
CID 21398349
4-amino-N-[2-(diethylamino)ethyl]-3-iodobenzamide
CID 112750715

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide?
The IUPAC name of 4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide (CID 102129592) is 4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide.
What is the SMILES notation for 4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide?
The canonical SMILES for 4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide is CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1O.
What is the InChIKey of 4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide?
The InChIKey is QJAJFDKPSALKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2/c1-3-17(4-2)6-5-16-13(19)9-7-10(14)11(15)8-12(9)18/h7-8,18H,3-6,15H2,1-2H3,(H,16,19).
What are the key properties of 4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide?
4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide has a molecular weight of 330.23 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide is sourced from PubChem (CID 102129592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).