3-amino-5-bromo-N-(1-hydroxypropan-2-yl)-N-methylbenzamide

C11H15BrN2O2 — CID 104550883

IUPAC3-amino-5-bromo-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
SMILESCC(CO)N(C)C(=O)c1cc(N)cc(Br)c1
InChIInChI=1S/C11H15BrN2O2/c1-7(6-15)14(2)11(16)8-3-9(12)5-10(13)4-8/h3-5,7,15H,6,13H2,1-2H3
InChIKeyROPUBWNMYDWKGR-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.48
Rot. Bonds3

About 3-amino-5-bromo-N-(1-hydroxypropan-2-yl)-N-methylbenzamide

3-amino-5-bromo-N-(1-hydroxypropan-2-yl)-N-methylbenzamide (PubChem CID 104550883) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 3-amino-5-bromo-N-(1-hydroxypropan-2-yl)-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
PubChem CID104550883
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name3-amino-5-bromo-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
SMILESCC(CO)N(C)C(=O)c1cc(N)cc(Br)c1
InChIInChI=1S/C11H15BrN2O2/c1-7(6-15)14(2)11(16)8-3-9(12)5-10(13)4-8/h3-5,7,15H,6,13H2,1-2H3
InChIKeyROPUBWNMYDWKGR-UHFFFAOYSA-N
XLogP1.48
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-5-bromo-N-(1-hydroxypropan-2-yl)-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-3,5-difluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 104554287
3,5-diamino-N-methyl-N-propan-2-ylbenzamide
CID 61089982
2,6-dichloro-N-(1-hydroxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 115869509
5-amino-2-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide
CID 103296803
4-(bromomethyl)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 102852055
3,4-dihydroxy-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 103956182
N-(1-hydroxypropan-2-yl)-N-methyl-4-sulfanylbenzamide
CID 107034868
4-chloro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115765131
N-(1-hydroxypropan-2-yl)-4-iodo-N-methylbenzamide
CID 115765134
4-(dimethylamino)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 113344177
5-bromo-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115765072
4-amino-N-(1-hydroxypropan-2-yl)-N-methylpyridine-3-carboxamide
CID 104554326

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
The IUPAC name of 3-amino-5-bromo-N-(1-hydroxypropan-2-yl)-N-methylbenzamide (CID 104550883) is 3-amino-5-bromo-N-(1-hydroxypropan-2-yl)-N-methylbenzamide.
What is the SMILES notation for 3-amino-5-bromo-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
The canonical SMILES for 3-amino-5-bromo-N-(1-hydroxypropan-2-yl)-N-methylbenzamide is CC(CO)N(C)C(=O)c1cc(N)cc(Br)c1.
What is the InChIKey of 3-amino-5-bromo-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
The InChIKey is ROPUBWNMYDWKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-7(6-15)14(2)11(16)8-3-9(12)5-10(13)4-8/h3-5,7,15H,6,13H2,1-2H3.
What are the key properties of 3-amino-5-bromo-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
3-amino-5-bromo-N-(1-hydroxypropan-2-yl)-N-methylbenzamide has a molecular weight of 287.16 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-(1-hydroxypropan-2-yl)-N-methylbenzamide is sourced from PubChem (CID 104550883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).