3-bromo-N-(5-hydroxypentyl)-4-methylbenzamide

C13H18BrNO2 — CID 107317891

IUPAC3-bromo-N-(5-hydroxypentyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCCCCO)cc1Br
InChIInChI=1S/C13H18BrNO2/c1-10-5-6-11(9-12(10)14)13(17)15-7-3-2-4-8-16/h5-6,9,16H,2-4,7-8H2,1H3,(H,15,17)
InChIKeyJTQDKVGFBPKKTH-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.65
Rot. Bonds6

About 3-bromo-N-(5-hydroxypentyl)-4-methylbenzamide

3-bromo-N-(5-hydroxypentyl)-4-methylbenzamide (PubChem CID 107317891) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 3-bromo-N-(5-hydroxypentyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(5-hydroxypentyl)-4-methylbenzamide
PubChem CID107317891
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name3-bromo-N-(5-hydroxypentyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCCCCO)cc1Br
InChIInChI=1S/C13H18BrNO2/c1-10-5-6-11(9-12(10)14)13(17)15-7-3-2-4-8-16/h5-6,9,16H,2-4,7-8H2,1H3,(H,15,17)
InChIKeyJTQDKVGFBPKKTH-UHFFFAOYSA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-bromo-N-(5-hydroxypentyl)-4-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-bromo-N-(6-hydroxyhexyl)benzamide
CID 114007895
N-(4-amino-4-oxobutyl)-3-bromo-4-methylbenzamide
CID 79466852
4-fluoro-N-(5-hydroxypentyl)-3-methylbenzamide
CID 107317159
4-chloro-N-(6-hydroxyhexyl)-3-methylbenzamide
CID 103919086
4-bromo-3-hydroxy-N-(4-hydroxybutyl)benzamide
CID 107168307
3-bromo-N-[2-(2-hydroxyethoxy)ethyl]-4-methylbenzamide
CID 81471797
3-bromo-4-methyl-N-(3-methylsulfonylpropyl)benzamide
CID 79466574
3-bromo-4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]benzamide
CID 79465134
3-bromo-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 81476107
3-bromo-N-(5-hydroxypentyl)benzamide
CID 107317897
4-[(3-bromo-4-methylbenzoyl)amino]-2,2-dimethylbutanoic acid
CID 114285495
3-bromo-N-[2-(ethylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 119508624

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-hydroxypentyl)-4-methylbenzamide?
The IUPAC name of 3-bromo-N-(5-hydroxypentyl)-4-methylbenzamide (CID 107317891) is 3-bromo-N-(5-hydroxypentyl)-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(5-hydroxypentyl)-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-(5-hydroxypentyl)-4-methylbenzamide is Cc1ccc(C(=O)NCCCCCO)cc1Br.
What is the InChIKey of 3-bromo-N-(5-hydroxypentyl)-4-methylbenzamide?
The InChIKey is JTQDKVGFBPKKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-10-5-6-11(9-12(10)14)13(17)15-7-3-2-4-8-16/h5-6,9,16H,2-4,7-8H2,1H3,(H,15,17).
What are the key properties of 3-bromo-N-(5-hydroxypentyl)-4-methylbenzamide?
3-bromo-N-(5-hydroxypentyl)-4-methylbenzamide has a molecular weight of 300.20 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-hydroxypentyl)-4-methylbenzamide is sourced from PubChem (CID 107317891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).