4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide

C13H19BrN2O2 — CID 113322189

IUPAC4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
SMILESCN(C)CC(C)(O)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O2/c1-13(18,9-16(2)3)8-15-12(17)10-4-6-11(14)7-5-10/h4-7,18H,8-9H2,1-3H3,(H,15,17)
InChIKeyDTSKSJHZUIIZLZ-UHFFFAOYSA-N
MW315.21 g/mol
LogP1.49
Rot. Bonds5

About 4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide

4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide (PubChem CID 113322189) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
PubChem CID113322189
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
SMILESCN(C)CC(C)(O)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O2/c1-13(18,9-16(2)3)8-15-12(17)10-4-6-11(14)7-5-10/h4-7,18H,8-9H2,1-3H3,(H,15,17)
InChIKeyDTSKSJHZUIIZLZ-UHFFFAOYSA-N
XLogP1.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65111325
4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzamide
CID 103839610
4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide
CID 103840192
5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-hydroxybenzamide
CID 103841103
5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide
CID 103840031
4-bromo-N-[(dimethylamino)methyl]benzamide
CID 86084577
5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-fluorobenzamide
CID 103839807
N-(2-amino-2-methylpropyl)-4-bromobenzamide
CID 81482664
3,5-diamino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 106139483
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-hydroxybenzamide
CID 110026112
N-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]benzamide
CID 103839771
3-(4-bromophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
CID 103839832

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide?
The IUPAC name of 4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide (CID 113322189) is 4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide is CN(C)CC(C)(O)CNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide?
The InChIKey is DTSKSJHZUIIZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-13(18,9-16(2)3)8-15-12(17)10-4-6-11(14)7-5-10/h4-7,18H,8-9H2,1-3H3,(H,15,17).
What are the key properties of 4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide?
4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide has a molecular weight of 315.21 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide is sourced from PubChem (CID 113322189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).