3-amino-2-bromo-N-(1-hydroxypentan-3-yl)benzamide

C12H17BrN2O2 — CID 113495433

IUPAC3-amino-2-bromo-N-(1-hydroxypentan-3-yl)benzamide
SMILESCCC(CCO)NC(=O)c1cccc(N)c1Br
InChIInChI=1S/C12H17BrN2O2/c1-2-8(6-7-16)15-12(17)9-4-3-5-10(14)11(9)13/h3-5,8,16H,2,6-7,14H2,1H3,(H,15,17)
InChIKeyQHSDAGONRIQPNO-UHFFFAOYSA-N
MW301.18 g/mol
LogP1.92
Rot. Bonds5

About 3-amino-2-bromo-N-(1-hydroxypentan-3-yl)benzamide

3-amino-2-bromo-N-(1-hydroxypentan-3-yl)benzamide (PubChem CID 113495433) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 3-amino-2-bromo-N-(1-hydroxypentan-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-2-bromo-N-(1-hydroxypentan-3-yl)benzamide
PubChem CID113495433
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name3-amino-2-bromo-N-(1-hydroxypentan-3-yl)benzamide
SMILESCCC(CCO)NC(=O)c1cccc(N)c1Br
InChIInChI=1S/C12H17BrN2O2/c1-2-8(6-7-16)15-12(17)9-4-3-5-10(14)11(9)13/h3-5,8,16H,2,6-7,14H2,1H3,(H,15,17)
InChIKeyQHSDAGONRIQPNO-UHFFFAOYSA-N
XLogP1.92
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-2-bromo-N-(1-hydroxypentan-3-yl)benzamide 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

3-amino-2-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347949
2-amino-N-pentan-3-ylbenzamide;hydrochloride
CID 119943648
3-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzamide
CID 113484652
N-(1-hydroxypentan-3-yl)-3-iodo-2-methylbenzamide
CID 109479279
3-amino-2-chloro-N-hexan-3-ylbenzamide
CID 112575833
2-bromo-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbenzamide
CID 105342980
2-amino-N-hex-5-yn-3-ylbenzamide
CID 115976433
3-amino-2-bromo-N-(1-ethylsulfanylpropan-2-yl)benzamide
CID 113498897
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide
CID 106152007
2-bromo-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methylbenzamide
CID 103855412
3-amino-2-bromo-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 114150738
3-amino-2-bromo-N-methylbenzamide
CID 100681188

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-N-(1-hydroxypentan-3-yl)benzamide?
The IUPAC name of 3-amino-2-bromo-N-(1-hydroxypentan-3-yl)benzamide (CID 113495433) is 3-amino-2-bromo-N-(1-hydroxypentan-3-yl)benzamide.
What is the SMILES notation for 3-amino-2-bromo-N-(1-hydroxypentan-3-yl)benzamide?
The canonical SMILES for 3-amino-2-bromo-N-(1-hydroxypentan-3-yl)benzamide is CCC(CCO)NC(=O)c1cccc(N)c1Br.
What is the InChIKey of 3-amino-2-bromo-N-(1-hydroxypentan-3-yl)benzamide?
The InChIKey is QHSDAGONRIQPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-2-8(6-7-16)15-12(17)9-4-3-5-10(14)11(9)13/h3-5,8,16H,2,6-7,14H2,1H3,(H,15,17).
What are the key properties of 3-amino-2-bromo-N-(1-hydroxypentan-3-yl)benzamide?
3-amino-2-bromo-N-(1-hydroxypentan-3-yl)benzamide has a molecular weight of 301.18 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-bromo-N-(1-hydroxypentan-3-yl)benzamide is sourced from PubChem (CID 113495433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).