3-amino-2-bromo-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide

C12H17BrN2O2 — CID 113367038

IUPAC3-amino-2-bromo-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
SMILESCN(CC(C)(C)O)C(=O)c1cccc(N)c1Br
InChIInChI=1S/C12H17BrN2O2/c1-12(2,17)7-15(3)11(16)8-5-4-6-9(14)10(8)13/h4-6,17H,7,14H2,1-3H3
InChIKeyJYSVPRFXNKUQCG-UHFFFAOYSA-N
MW301.18 g/mol
LogP1.87
Rot. Bonds3

About 3-amino-2-bromo-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide

3-amino-2-bromo-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide (PubChem CID 113367038) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 3-amino-2-bromo-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-2-bromo-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
PubChem CID113367038
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name3-amino-2-bromo-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
SMILESCN(CC(C)(C)O)C(=O)c1cccc(N)c1Br
InChIInChI=1S/C12H17BrN2O2/c1-12(2,17)7-15(3)11(16)8-5-4-6-9(14)10(8)13/h4-6,17H,7,14H2,1-3H3
InChIKeyJYSVPRFXNKUQCG-UHFFFAOYSA-N
XLogP1.87
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-hydroxy-2-methylpropyl)-N,2,4-trimethylbenzamide
CID 102705736
2,6-dihydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 103749107
N-(2-hydroxy-2-methylpropyl)-N,2,6-trimethylbenzamide
CID 113258432
2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 79389751
2-amino-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]benzamide;hydrochloride
CID 119945788
N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 13214665
2-amino-N-[(2-bromophenyl)methyl]-N-methylbenzamide
CID 55028935
4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-2-carboxamide
CID 79385801
N-(2-hydroxy-2-methylpropyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558764
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(4-methylbenzoyl)benzamide
CID 111697880
N-(2-hydroxy-2-methylpropyl)-N,6-dimethylpyridine-2-carboxamide
CID 79290588
3-amino-2-chloro-N-ethyl-N-methylbenzamide
CID 112574683

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide?
The IUPAC name of 3-amino-2-bromo-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide (CID 113367038) is 3-amino-2-bromo-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide.
What is the SMILES notation for 3-amino-2-bromo-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide?
The canonical SMILES for 3-amino-2-bromo-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide is CN(CC(C)(C)O)C(=O)c1cccc(N)c1Br.
What is the InChIKey of 3-amino-2-bromo-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide?
The InChIKey is JYSVPRFXNKUQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-12(2,17)7-15(3)11(16)8-5-4-6-9(14)10(8)13/h4-6,17H,7,14H2,1-3H3.
What are the key properties of 3-amino-2-bromo-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide?
3-amino-2-bromo-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide has a molecular weight of 301.18 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-bromo-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide is sourced from PubChem (CID 113367038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).